
 CHEMBL33700

 36 37  0  0  0  0  0  0  0  0999 V2000
    8.6594    6.2731    3.4114 C   0  0  0  0  0
    7.6599    5.4077    2.6974 C   0  0  0  0  0
    6.7250    5.8634    2.0485 O   0  0  0  0  0
    7.9039    4.0593    2.8471 N   0  0  0  0  0
    7.1130    3.0619    2.1450 C   0  0  0  0  0
    7.4422    2.9497    0.6526 C   0  0  0  0  0
    8.8482    2.5028    0.3823 C   0  0  0  0  0
    9.2914    1.1977    0.2785 C   0  0  0  0  0
   10.6312    1.2180   -0.0049 N   0  0  0  0  0
   11.0884    2.5167   -0.0626 C   0  0  0  0  0
    9.9867    3.3433    0.1630 C   0  0  0  0  0
   10.1778    4.7409    0.1323 C   0  0  0  0  0
   11.4507    5.2787   -0.0938 C   0  0  0  0  0
   12.5309    4.4284   -0.3133 C   0  0  0  0  0
   12.3693    3.0361   -0.3068 C   0  0  0  0  0
   11.4955    6.6470   -0.0690 O   0  0  0  0  0
   12.7578    7.2561   -0.3034 C   0  0  0  0  0
   11.4430    0.0434   -0.2332 C   0  0  0  0  0
    9.6558    6.1235    2.9853 H   0  0  0  0  0
    8.6720    6.0270    4.4763 H   0  0  0  0  0
    8.3810    7.3246    3.2964 H   0  0  0  0  0
    8.8115    3.7736    3.1920 H   0  0  0  0  0
    6.0563    3.3238    2.2627 H   0  0  0  0  0
    7.2828    2.1072    2.6544 H   0  0  0  0  0
    7.2605    3.9070    0.1511 H   0  0  0  0  0
    6.7505    2.2290    0.1974 H   0  0  0  0  0
    8.7525    0.2630    0.3667 H   0  0  0  0  0
    9.3340    5.4087    0.2821 H   0  0  0  0  0
   13.5274    4.8153   -0.5006 H   0  0  0  0  0
   13.2185    2.3854   -0.4882 H   0  0  0  0  0
   12.6229    8.3404   -0.2378 H   0  0  0  0  0
   13.1256    7.0259   -1.3089 H   0  0  0  0  0
   13.4858    6.9658    0.4611 H   0  0  0  0  0
   11.8955    0.1227   -1.2251 H   0  0  0  0  0
   10.8161   -0.8507   -0.1863 H   0  0  0  0  0
   12.2122   -0.0006    0.5412 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL33700

>  <PubChem CID>
11776674

>  <Formula>
C14H18N2O2

>  <Molecular Weight>
246.310000

>  <IUPAC Name>
N-[2-(5-methoxy-1-methylindol-3-yl)ethyl]acetamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C

>  <Isomeric SMILES>
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C

>  <InChI Std. ID>
InChI=1S/C14H18N2O2/c1-10(17)15-7-6-11-9-16(2)14-5-4-12(18-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)

>  <InChI Key>
GSMWHFKFNGUYRN-UHFFFAOYSA-N

