
 CHEMBL285556

 70 71  0  0  0  0  0  0  0  0999 V2000
   11.0802    1.2871   -2.6244 C   0  0  0  0  0
   10.8045    0.1551   -1.6277 C   0  0  0  0  0
    9.7592   -0.8344   -2.1574 C   0  0  0  0  0
   12.1149   -0.6078   -1.3791 C   0  0  0  0  0
   10.4265    0.6788   -0.3279 O   0  0  0  0  0
    9.2900    1.3981   -0.1869 C   0  0  0  0  0
    8.5061    1.6894   -1.0742 O   0  0  0  0  0
    9.1568    1.7599    1.1184 N   0  0  0  0  0
    8.0399    2.5280    1.6152 C   0  0  0  0  0
    8.4177    3.9729    1.9135 C   0  0  0  0  0
    8.7822    4.7708    0.6609 C   0  0  0  0  0
    9.0348    6.2241    1.0065 C   0  0  0  0  0
    9.3198    6.5962    2.1393 O   0  0  0  0  0
    8.9419    7.0716   -0.0786 N   0  0  0  0  0
    9.2677    8.4822    0.0376 C   0  0  0  0  0
   10.7479    8.7169   -0.2507 C   0  0  0  0  0
   11.2189   10.1369    0.0745 C   0  0  0  0  0
   10.8173   10.6186    1.3570 O   0  0  0  0  0
   11.2435    9.9394    2.4652 C   0  0  0  0  0
   10.4331   10.1009    3.5902 C   0  0  0  0  0
   10.7073    9.4046    4.7652 C   0  0  0  0  0
   11.8114    8.5569    4.8276 C   0  0  0  0  0
   12.6613    8.4130    3.7213 C   0  0  0  0  0
   12.3709    9.1198    2.5410 C   0  0  0  0  0
   13.8703    7.5035    3.7974 C   0  0  0  0  0
   13.7140    6.2303    3.0730 N   0  0  0  0  0
   15.0026    5.5379    2.9168 C   0  0  0  0  0
   15.5491    4.9381    4.2153 C   0  0  0  0  0
   14.5285    4.0111    4.8662 C   0  0  0  0  0
   13.1731    4.6982    5.0046 C   0  0  0  0  0
   12.7220    5.3259    3.6803 C   0  0  0  0  0
   11.7991    2.0022   -2.2089 H   0  0  0  0  0
   10.1764    1.8563   -2.8607 H   0  0  0  0  0
   11.4799    0.8988   -3.5673 H   0  0  0  0  0
    8.8290   -0.3343   -2.4433 H   0  0  0  0  0
    9.4977   -1.5716   -1.3899 H   0  0  0  0  0
   10.1267   -1.3672   -3.0412 H   0  0  0  0  0
   12.8840    0.0602   -0.9748 H   0  0  0  0  0
   12.5004   -1.0625   -2.2975 H   0  0  0  0  0
   11.9696   -1.3990   -0.6349 H   0  0  0  0  0
    9.8980    1.4700    1.7406 H   0  0  0  0  0
    7.7115    2.0393    2.5382 H   0  0  0  0  0
    7.2073    2.4886    0.9036 H   0  0  0  0  0
    9.2521    3.9969    2.6259 H   0  0  0  0  0
    7.5675    4.4578    2.4103 H   0  0  0  0  0
    7.9737    4.7082   -0.0756 H   0  0  0  0  0
    9.6978    4.3767    0.2054 H   0  0  0  0  0
    8.7890    6.6802   -0.9986 H   0  0  0  0  0
    8.9902    8.8204    1.0403 H   0  0  0  0  0
    8.6465    9.0233   -0.6833 H   0  0  0  0  0
   10.9543    8.5061   -1.3075 H   0  0  0  0  0
   11.3417    7.9906    0.3144 H   0  0  0  0  0
   10.7680   10.8212   -0.6548 H   0  0  0  0  0
   12.3030   10.2400   -0.0522 H   0  0  0  0  0
    9.5591   10.7444    3.5367 H   0  0  0  0  0
   10.0475    9.5070    5.6217 H   0  0  0  0  0
   12.0001    7.9988    5.7410 H   0  0  0  0  0
   13.0330    8.9954    1.6904 H   0  0  0  0  0
   14.1466    7.3488    4.8471 H   0  0  0  0  0
   14.7048    8.0683    3.3593 H   0  0  0  0  0
   15.7468    6.2142    2.4792 H   0  0  0  0  0
   14.8758    4.7327    2.1809 H   0  0  0  0  0
   16.4685    4.3799    4.0041 H   0  0  0  0  0
   15.8221    5.7360    4.9160 H   0  0  0  0  0
   14.4170    3.1081    4.2533 H   0  0  0  0  0
   14.8885    3.6866    5.8490 H   0  0  0  0  0
   12.4279    3.9657    5.3364 H   0  0  0  0  0
   13.2281    5.4636    5.7873 H   0  0  0  0  0
   12.5181    4.5169    2.9654 H   0  0  0  0  0
   11.7575    5.8263    3.8175 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 21 22  2  0  0  0
 21 56  1  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
 26 31  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 27 62  1  0  0  0
 28 29  1  0  0  0
 28 63  1  0  0  0
 28 64  1  0  0  0
 29 30  1  0  0  0
 29 65  1  0  0  0
 29 66  1  0  0  0
 30 31  1  0  0  0
 30 67  1  0  0  0
 30 68  1  0  0  0
 31 69  1  0  0  0
 31 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL285556

>  <PubChem CID>
44281291

>  <Formula>
C24H39N3O4

>  <Molecular Weight>
433.593000

>  <IUPAC Name>
tert-butyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)OC(=O)NCCCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2

>  <Isomeric SMILES>
CC(C)(C)OC(=O)NCCCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2

>  <InChI Std. ID>
InChI=1S/C24H39N3O4/c1-24(2,3)31-23(29)26-13-8-12-22(28)25-14-9-17-30-21-11-7-10-20(18-21)19-27-15-5-4-6-16-27/h7,10-11,18H,4-6,8-9,12-17,19H2,1-3H3,(H,25,28)(H,26,29)

>  <InChI Key>
GXWHNNAJEOYVNF-UHFFFAOYSA-N

