
 CHEMBL1092646

 50 51  0  0  0  0  0  0  0  0999 V2000
    2.1060    3.4822    2.3425 C   0  0  0  0  0
    3.3599    2.6981    2.6249 C   0  0  0  0  0
    3.3252    1.5373    3.0197 O   0  0  0  0  0
    4.5186    3.3943    2.3875 N   0  0  0  0  0
    5.8323    2.7960    2.4934 C   0  0  0  0  0
    6.2805    2.1295    1.1922 C   0  0  0  0  0
    6.2728    3.0441   -0.0403 C   0  0  0  0  0
    7.2265    4.2162    0.0494 C   0  0  0  0  0
    6.8092    5.4905    0.4750 C   0  0  0  0  0
    7.7503    6.5201    0.5757 C   0  0  0  0  0
    9.0815    6.3115    0.1980 C   0  0  0  0  0
    9.4930    5.0668   -0.2642 C   0  0  0  0  0
    8.5730    4.0187   -0.3086 C   0  0  0  0  0
   10.7650    4.7503   -0.6546 O   0  0  0  0  0
   11.5452    5.8362   -1.1444 C   0  0  0  0  0
    5.4916    5.6165    0.8305 O   0  0  0  0  0
    4.8608    6.8916    0.6983 C   0  0  0  0  0
    4.3091    7.0923   -0.6901 C   0  0  0  0  0
    5.1101    7.6466   -1.6987 C   0  0  0  0  0
    4.6050    7.8675   -2.9819 C   0  0  0  0  0
    3.2927    7.5007   -3.2753 C   0  0  0  0  0
    2.4906    6.9264   -2.2857 C   0  0  0  0  0
    2.9948    6.7219   -1.0006 C   0  0  0  0  0
    5.4946    8.4203   -3.8617 O   0  0  0  0  0
    4.9284    9.1027   -4.9736 C   0  0  0  0  0
    2.3150    4.5478    2.2112 H   0  0  0  0  0
    1.4164    3.3710    3.1840 H   0  0  0  0  0
    1.6413    3.0975    1.4308 H   0  0  0  0  0
    4.4758    4.2866    1.9066 H   0  0  0  0  0
    5.8214    2.0533    3.2986 H   0  0  0  0  0
    6.5273    3.5886    2.7877 H   0  0  0  0  0
    5.6202    1.2780    0.9845 H   0  0  0  0  0
    7.2863    1.7174    1.3407 H   0  0  0  0  0
    5.2560    3.3919   -0.2582 H   0  0  0  0  0
    6.5501    2.4426   -0.9169 H   0  0  0  0  0
    7.4930    7.4985    0.9630 H   0  0  0  0  0
    9.7780    7.1377    0.2985 H   0  0  0  0  0
    8.9089    3.0403   -0.6457 H   0  0  0  0  0
   12.4597    5.4211   -1.5790 H   0  0  0  0  0
   11.8411    6.5086   -0.3332 H   0  0  0  0  0
   11.0167    6.3811   -1.9346 H   0  0  0  0  0
    5.4831    7.7358    1.0088 H   0  0  0  0  0
    4.0255    6.8937    1.4100 H   0  0  0  0  0
    6.1412    7.9224   -1.4909 H   0  0  0  0  0
    2.8732    7.6299   -4.2670 H   0  0  0  0  0
    1.4700    6.6335   -2.5201 H   0  0  0  0  0
    2.3543    6.2724   -0.2452 H   0  0  0  0  0
    5.7427    9.6067   -5.5035 H   0  0  0  0  0
    4.2178    9.8692   -4.6457 H   0  0  0  0  0
    4.4612    8.4036   -5.6738 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1092646

>  <PubChem CID>
46884553

>  <Formula>
C20H25NO4

>  <Molecular Weight>
343.423000

>  <IUPAC Name>
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]acetamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCCC1=C(C=CC(=C1)OC)OCC2=CC(=CC=C2)OC

>  <Isomeric SMILES>
CC(=O)NCCCC1=C(C=CC(=C1)OC)OCC2=CC(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C20H25NO4/c1-15(22)21-11-5-7-17-13-19(24-3)9-10-20(17)25-14-16-6-4-8-18(12-16)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)

>  <InChI Key>
BXVNHHHDHBAPPO-UHFFFAOYSA-N

