
 CHEMBL113243

 39 40  0  0  0  0  0  0  0  0999 V2000
    1.8350    5.7548   -1.6766 C   0  0  0  0  0
    1.5937    4.2816   -1.3733 C   0  0  0  0  0
    2.6619    3.6939   -0.4521 C   0  0  0  0  0
    4.0197    3.5766   -1.1197 C   0  0  0  0  0
    4.1748    3.5774   -2.3369 O   0  0  0  0  0
    5.0576    3.4411   -0.2237 N   0  0  0  0  0
    6.4451    3.3761   -0.6504 C   0  0  0  0  0
    7.2905    4.5717   -0.1942 C   0  0  0  0  0
    6.7240    5.9479   -0.6116 C   0  0  0  0  0
    7.2910    6.9668    0.3870 C   0  0  0  0  0
    7.4308    6.1229    1.6158 C   0  0  0  0  0
    7.4337    4.7615    1.2943 C   0  0  0  0  0
    7.6334    3.8056    2.2786 C   0  0  0  0  0
    7.7922    4.2187    3.6064 C   0  0  0  0  0
    7.7853    5.5867    3.9219 C   0  0  0  0  0
    7.6116    6.5492    2.9208 C   0  0  0  0  0
    7.9854    3.1991    4.4999 O   0  0  0  0  0
    7.7452    3.5066    5.8678 C   0  0  0  0  0
    1.0333    6.1456   -2.3108 H   0  0  0  0  0
    2.7819    5.9076   -2.2033 H   0  0  0  0  0
    1.8574    6.3455   -0.7552 H   0  0  0  0  0
    1.5451    3.7204   -2.3137 H   0  0  0  0  0
    0.6150    4.1810   -0.8897 H   0  0  0  0  0
    2.3608    2.6830   -0.1523 H   0  0  0  0  0
    2.7481    4.3018    0.4560 H   0  0  0  0  0
    4.8663    3.4562    0.7709 H   0  0  0  0  0
    6.4927    3.3000   -1.7420 H   0  0  0  0  0
    6.8499    2.4439   -0.2424 H   0  0  0  0  0
    8.3023    4.4619   -0.6070 H   0  0  0  0  0
    5.6290    5.9657   -0.5363 H   0  0  0  0  0
    6.9770    6.2017   -1.6463 H   0  0  0  0  0
    6.6071    7.8079    0.5324 H   0  0  0  0  0
    8.2724    7.3318    0.0667 H   0  0  0  0  0
    7.6779    2.7483    2.0367 H   0  0  0  0  0
    7.9427    5.9339    4.9377 H   0  0  0  0  0
    7.6329    7.6067    3.1647 H   0  0  0  0  0
    7.8375    2.5775    6.4384 H   0  0  0  0  0
    6.7288    3.8885    6.0111 H   0  0  0  0  0
    8.4903    4.2072    6.2574 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL113243

>  <PubChem CID>
44340822

>  <Formula>
C15H21NO2

>  <Molecular Weight>
247.338000

>  <IUPAC Name>
N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]butanamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC(=O)NCC1CCC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CCCC(=O)NCC1CCC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C15H21NO2/c1-3-4-15(17)16-10-12-6-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)

>  <InChI Key>
GBTHDMWAVQRXHE-UHFFFAOYSA-N

