
 CHEMBL33869

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.0717    2.3641   -2.2296 C   0  0  0  0  0
    3.4766    2.8234   -1.9515 C   0  0  0  0  0
    3.7487    3.9854   -1.6702 O   0  0  0  0  0
    4.4165    1.8245   -2.0682 N   0  0  0  0  0
    5.8284    2.0806   -1.8466 C   0  0  0  0  0
    6.1754    2.1924   -0.3600 C   0  0  0  0  0
    7.6278    2.4706   -0.1368 C   0  0  0  0  0
    8.6055    1.5459    0.1626 C   0  0  0  0  0
    9.8360    2.1743    0.2404 N   0  0  0  0  0
    9.6248    3.5501    0.1158 C   0  0  0  0  0
    8.2678    3.7440   -0.1740 C   0  0  0  0  0
    7.7853    5.0549   -0.4062 C   0  0  0  0  0
    8.6476    6.1484   -0.3000 C   0  0  0  0  0
    9.9753    5.9413    0.0591 C   0  0  0  0  0
   10.4822    4.6559    0.2802 C   0  0  0  0  0
    8.3053    7.4596   -0.4949 O   0  0  0  0  0
    6.9814    7.7135   -0.9505 C   0  0  0  0  0
   11.0783    1.4845    0.3924 C   0  0  0  0  0
   12.2586    2.0043   -0.1535 C   0  0  0  0  0
   13.4634    1.3076   -0.0222 C   0  0  0  0  0
   13.4979    0.0868    0.6473 C   0  0  0  0  0
   12.3264   -0.4452    1.1805 C   0  0  0  0  0
   11.1182    0.2451    1.0492 C   0  0  0  0  0
    1.9100    2.3252   -3.3097 H   0  0  0  0  0
    1.3638    3.0663   -1.7808 H   0  0  0  0  0
    1.8960    1.3759   -1.7947 H   0  0  0  0  0
    4.1229    0.8853   -2.3032 H   0  0  0  0  0
    6.0985    3.0010   -2.3780 H   0  0  0  0  0
    6.3809    1.2554   -2.3100 H   0  0  0  0  0
    5.8956    1.2619    0.1503 H   0  0  0  0  0
    5.5788    2.9820    0.1126 H   0  0  0  0  0
    8.5231    0.4718    0.2534 H   0  0  0  0  0
    6.7341    5.1792   -0.6442 H   0  0  0  0  0
   10.6352    6.7984    0.1762 H   0  0  0  0  0
   11.5138    4.5402    0.5943 H   0  0  0  0  0
    6.8819    8.7929   -1.0992 H   0  0  0  0  0
    6.2423    7.4118   -0.2016 H   0  0  0  0  0
    6.7940    7.2262   -1.9129 H   0  0  0  0  0
   12.2632    2.9195   -0.7383 H   0  0  0  0  0
   14.3735    1.7135   -0.4575 H   0  0  0  0  0
   14.4360   -0.4530    0.7469 H   0  0  0  0  0
   12.3525   -1.3979    1.7037 H   0  0  0  0  0
   10.2311   -0.1893    1.5021 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 32  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 33  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL33869

>  <PubChem CID>
10447987

>  <Formula>
C19H20N2O2

>  <Molecular Weight>
308.381000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H20N2O2/c1-14(22)20-11-10-15-13-21(16-6-4-3-5-7-16)19-9-8-17(23-2)12-18(15)19/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)

>  <InChI Key>
MHWIVZQVAFEKPP-UHFFFAOYSA-N

