
 CHEMBL113244

 36 37  0  0  0  0  0  0  0  0999 V2000
    4.0397    1.6858   -3.8851 C   0  0  0  0  0
    4.5641    2.8717   -3.0955 C   0  0  0  0  0
    5.0568    2.4723   -1.7185 C   0  0  0  0  0
    5.1293    1.3135   -1.3306 O   0  0  0  0  0
    5.4270    3.5538   -0.9498 N   0  0  0  0  0
    5.9344    3.3901    0.4007 C   0  0  0  0  0
    7.4433    3.1248    0.4370 C   0  0  0  0  0
    8.2582    4.3384   -0.0694 C   0  0  0  0  0
    9.5887    4.3396    0.6941 C   0  0  0  0  0
    9.1989    3.6667    1.9711 C   0  0  0  0  0
    8.0016    2.9625    1.8263 C   0  0  0  0  0
    7.5087    2.1894    2.8682 C   0  0  0  0  0
    8.2082    2.1475    4.0792 C   0  0  0  0  0
    9.3960    2.8803    4.2253 C   0  0  0  0  0
    9.9036    3.6374    3.1626 C   0  0  0  0  0
    7.6346    1.3529    5.0348 O   0  0  0  0  0
    8.3377    1.2116    6.2619 C   0  0  0  0  0
    3.6965    2.0065   -4.8738 H   0  0  0  0  0
    3.1983    1.2114   -3.3680 H   0  0  0  0  0
    4.8183    0.9275   -4.0225 H   0  0  0  0  0
    3.7666    3.6149   -2.9822 H   0  0  0  0  0
    5.3949    3.3357   -3.6373 H   0  0  0  0  0
    5.4019    4.4831   -1.3498 H   0  0  0  0  0
    5.3883    2.5654    0.8743 H   0  0  0  0  0
    5.6807    4.3033    0.9523 H   0  0  0  0  0
    7.7014    2.2363   -0.1528 H   0  0  0  0  0
    7.7260    5.2754    0.1491 H   0  0  0  0  0
    8.4117    4.3068   -1.1533 H   0  0  0  0  0
    9.9556    5.3576    0.8535 H   0  0  0  0  0
   10.3465    3.7461    0.1718 H   0  0  0  0  0
    6.6002    1.6055    2.7507 H   0  0  0  0  0
    9.9578    2.8706    5.1533 H   0  0  0  0  0
   10.8366    4.1823    3.2733 H   0  0  0  0  0
    7.7827    0.5038    6.8862 H   0  0  0  0  0
    8.3837    2.1654    6.7986 H   0  0  0  0  0
    9.3396    0.7975    6.1030 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL113244

>  <PubChem CID>
44340823

>  <Formula>
C14H19NO2

>  <Molecular Weight>
233.311000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C14H19NO2/c1-3-14(16)15-9-11-5-4-10-6-7-12(17-2)8-13(10)11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16)

>  <InChI Key>
FIZDNHSEMRVWSM-UHFFFAOYSA-N

