
 CHEMBL323332

 32 33  0  0  0  0  0  0  0  0999 V2000
    4.4586    5.8800    2.7478 C   0  0  0  0  0
    4.0438    4.7334    1.8653 C   0  0  0  0  0
    3.1200    4.8270    1.0637 O   0  0  0  0  0
    4.7739    3.5835    2.0526 N   0  0  0  0  0
    4.5448    2.3947    1.2500 C   0  0  0  0  0
    5.2002    2.4596   -0.1348 C   0  0  0  0  0
    6.6927    2.5208   -0.0633 C   0  0  0  0  0
    7.5660    1.4541    0.0206 C   0  0  0  0  0
    8.8512    1.8805    0.1079 O   0  0  0  0  0
    8.8219    3.2396    0.0683 C   0  0  0  0  0
    7.5153    3.6908   -0.0542 C   0  0  0  0  0
    7.2855    5.0813   -0.1230 C   0  0  0  0  0
    8.3822    5.9527   -0.0572 C   0  0  0  0  0
    9.6792    5.4491    0.0910 C   0  0  0  0  0
    9.9334    4.0739    0.1465 C   0  0  0  0  0
    8.3015    7.3197   -0.0985 O   0  0  0  0  0
    7.1127    7.8616   -0.6645 C   0  0  0  0  0
    5.4644    5.7348    3.1509 H   0  0  0  0  0
    3.7502    5.9704    3.5749 H   0  0  0  0  0
    4.4579    6.8020    2.1591 H   0  0  0  0  0
    5.6269    3.6266    2.5970 H   0  0  0  0  0
    3.4636    2.2598    1.1333 H   0  0  0  0  0
    4.9306    1.5448    1.8244 H   0  0  0  0  0
    4.8219    3.3243   -0.6923 H   0  0  0  0  0
    4.9079    1.5693   -0.7049 H   0  0  0  0  0
    7.4340    0.3805    0.0407 H   0  0  0  0  0
    6.2684    5.4415   -0.2167 H   0  0  0  0  0
   10.5155    6.1434    0.1517 H   0  0  0  0  0
   10.9349    3.6759    0.2469 H   0  0  0  0  0
    7.2566    8.9410   -0.7710 H   0  0  0  0  0
    6.2548    7.7052   -0.0023 H   0  0  0  0  0
    6.9242    7.4496   -1.6611 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  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  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  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 27  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL323332

>  <PubChem CID>
10059864

>  <Formula>
C13H15NO3

>  <Molecular Weight>
233.267000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=COC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=COC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)

>  <InChI Key>
BTVRPXLAXZPZPV-UHFFFAOYSA-N

