
 CHEMBL392421

 39 40  0  0  0  0  0  0  0  0999 V2000
    0.4291    0.2071    0.1033 C   0  0  0  0  0
    1.9283    0.1667   -0.0054 C   0  0  0  0  0
    2.7616    1.3107   -0.0791 C   0  0  0  0  0
    4.1563    1.1999   -0.1750 C   0  0  0  0  0
    4.7413   -0.0825   -0.2193 C   0  0  0  0  0
    3.9476   -1.2266   -0.1531 C   0  0  0  0  0
    2.5668   -1.0952   -0.0484 C   0  0  0  0  0
    4.6473   -2.4020   -0.1911 O   0  0  0  0  0
    3.8921   -3.6059   -0.1520 C   0  0  0  0  0
    4.7118    2.5189   -0.1805 C   0  0  0  0  0
    3.6496    3.3944   -0.1290 C   0  0  0  0  0
    2.4876    2.6680   -0.0794 N   0  0  0  0  0
    1.1794    3.2829   -0.0303 C   0  0  0  0  0
    6.1661    2.8867   -0.2080 C   0  0  0  0  0
    6.7522    3.0866    1.1928 C   0  0  0  0  0
    6.7475    1.8700    1.9894 N   0  0  0  0  0
    7.3994    1.8170    3.1996 C   0  0  0  0  0
    8.1166    2.7120    3.6339 O   0  0  0  0  0
    7.1418    0.5406    3.9515 C   0  0  0  0  0
    0.0079   -0.7914    0.2619 H   0  0  0  0  0
   -0.0043    0.6075   -0.8177 H   0  0  0  0  0
    0.1234    0.8213    0.9546 H   0  0  0  0  0
    5.8198   -0.1870   -0.3036 H   0  0  0  0  0
    1.9383   -1.9800    0.0044 H   0  0  0  0  0
    4.5951   -4.4429   -0.2034 H   0  0  0  0  0
    3.2222   -3.6802   -1.0148 H   0  0  0  0  0
    3.3388   -3.6939    0.7888 H   0  0  0  0  0
    3.6327    4.4767   -0.1163 H   0  0  0  0  0
    0.5786    2.8987   -0.8570 H   0  0  0  0  0
    1.2792    4.3667   -0.1372 H   0  0  0  0  0
    0.7253    3.0566    0.9368 H   0  0  0  0  0
    6.2869    3.8173   -0.7785 H   0  0  0  0  0
    6.7332    2.1167   -0.7434 H   0  0  0  0  0
    6.1891    3.8444    1.7499 H   0  0  0  0  0
    7.7876    3.4368    1.1142 H   0  0  0  0  0
    5.9667    1.2380    1.8634 H   0  0  0  0  0
    7.3741   -0.3200    3.3187 H   0  0  0  0  0
    6.0933    0.4999    4.2606 H   0  0  0  0  0
    7.7769    0.5030    4.8406 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3 12  1  0  0  0
  3  4  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL392421

>  <PubChem CID>
44429444

>  <Formula>
C15H20N2O2

>  <Molecular Weight>
260.337000

>  <IUPAC Name>
N-[2-(5-methoxy-1,7-dimethylindol-3-yl)ethyl]acetamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C2C(=CC(=C1)OC)C(=CN2C)CCNC(=O)C

>  <Isomeric SMILES>
CC1=C2C(=CC(=C1)OC)C(=CN2C)CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C15H20N2O2/c1-10-7-13(19-4)8-14-12(5-6-16-11(2)18)9-17(3)15(10)14/h7-9H,5-6H2,1-4H3,(H,16,18)

>  <InChI Key>
QUPBATMCRZDEBU-UHFFFAOYSA-N

