
 CHEMBL382439

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.6431    0.5251   -0.5059 C   0  0  0  0  0
    1.9252    0.6103    0.3677 C   0  0  0  0  0
    1.5636   -0.0709    1.7044 C   0  0  0  0  0
    3.0328   -0.2043   -0.3618 C   0  0  0  0  0
    4.2880   -0.2722    0.3654 N   0  0  0  0  0
    5.1559   -1.3339    0.2341 C   0  0  0  0  0
    4.8848   -2.3208   -0.4526 O   0  0  0  0  0
    6.4783   -1.1570    1.0243 C   0  0  0  0  0
    6.3895   -0.7379    2.5203 C   0  0  0  0  0
    7.5966   -1.6545    2.7852 C   0  0  0  0  0
    7.1814   -2.4473    1.5334 C   0  0  0  0  0
    2.3605    2.0786    0.5354 C   0  0  0  0  0
    2.1396    3.0754   -0.4016 C   0  0  0  0  0
    2.6570    4.2549    0.0559 N   0  0  0  0  0
    3.2575    4.0658    1.2773 C   0  0  0  0  0
    3.0924    2.7128    1.6102 C   0  0  0  0  0
    3.6461    2.2768    2.8370 C   0  0  0  0  0
    4.3014    3.1722    3.6936 C   0  0  0  0  0
    4.4549    4.5011    3.3241 C   0  0  0  0  0
    3.9345    4.9683    2.1145 C   0  0  0  0  0
    4.7879    2.6211    4.8500 O   0  0  0  0  0
    4.8597    3.5080    5.9619 C   0  0  0  0  0
    2.5581    5.4991   -0.6745 C   0  0  0  0  0
    0.8194    0.8814   -1.5272 H   0  0  0  0  0
   -0.1693    1.1235   -0.0770 H   0  0  0  0  0
    0.2863   -0.5083   -0.5908 H   0  0  0  0  0
    0.8800    0.5483    2.2958 H   0  0  0  0  0
    2.4412   -0.2882    2.3165 H   0  0  0  0  0
    1.0732   -1.0368    1.5347 H   0  0  0  0  0
    3.2646    0.2471   -1.3343 H   0  0  0  0  0
    2.6801   -1.2242   -0.5568 H   0  0  0  0  0
    4.6369    0.5816    0.7849 H   0  0  0  0  0
    7.1767   -0.5174    0.4642 H   0  0  0  0  0
    5.4714   -1.0600    3.0255 H   0  0  0  0  0
    6.5529    0.3237    2.7246 H   0  0  0  0  0
    8.5644   -1.1496    2.6861 H   0  0  0  0  0
    7.5763   -2.2078    3.7269 H   0  0  0  0  0
    8.0044   -2.8132    0.9142 H   0  0  0  0  0
    6.4995   -3.2795    1.7455 H   0  0  0  0  0
    1.6431    3.0408   -1.3632 H   0  0  0  0  0
    3.5645    1.2431    3.1520 H   0  0  0  0  0
    4.9943    5.2042    3.9505 H   0  0  0  0  0
    4.0650    6.0099    1.8398 H   0  0  0  0  0
    5.0870    2.9116    6.8500 H   0  0  0  0  0
    3.9020    4.0109    6.1316 H   0  0  0  0  0
    5.6694    4.2353    5.8380 H   0  0  0  0  0
    3.2392    6.2429   -0.2581 H   0  0  0  0  0
    1.5262    5.8514   -0.6034 H   0  0  0  0  0
    2.8256    5.3115   -1.7185 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 12  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL382439

>  <PubChem CID>
11515177

>  <Formula>
C19H26N2O2

>  <Molecular Weight>
314.429000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)(CNC(=O)C1CCC1)C2=CN(C3=C2C=C(C=C3)OC)C

>  <Isomeric SMILES>
CC(C)(CNC(=O)C1CCC1)C2=CN(C3=C2C=C(C=C3)OC)C

>  <InChI Std. ID>
InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)

>  <InChI Key>
BYKMJQBTDAIGIH-UHFFFAOYSA-N

