
 N-0889

 45 47  0  0  0  0  0  0  0  0999 V2000
    7.6288   -1.6196   -3.5234 C   0  0  0  0  0
    6.8545   -1.0852   -2.3314 C   0  0  0  0  0
    7.4294    0.2185   -1.8145 C   0  0  0  0  0
    8.4653    0.7194   -2.2343 O   0  0  0  0  0
    6.6655    0.7849   -0.8147 N   0  0  0  0  0
    7.0438    2.0384   -0.1868 C   0  0  0  0  0
    6.8433    3.2439   -1.1096 C   0  0  0  0  0
    7.1695    4.5419   -0.4361 C   0  0  0  0  0
    6.2793    5.3985    0.1988 C   0  0  0  0  0
    7.0041    6.4797    0.6465 N   0  0  0  0  0
    8.3338    6.3425    0.3349 C   0  0  0  0  0
    9.4125    7.1959    0.5951 C   0  0  0  0  0
   10.6767    6.7938    0.1548 C   0  0  0  0  0
   10.8498    5.5865   -0.5182 C   0  0  0  0  0
    9.7578    4.7485   -0.7731 C   0  0  0  0  0
    8.4718    5.1324   -0.3403 C   0  0  0  0  0
    4.7972    5.2706    0.4035 C   0  0  0  0  0
    4.1588    6.4391    1.1194 C   0  0  0  0  0
    4.0917    6.4647    2.5202 C   0  0  0  0  0
    3.5543    7.5698    3.1805 C   0  0  0  0  0
    3.0830    8.6590    2.4491 C   0  0  0  0  0
    3.1482    8.6452    1.0568 C   0  0  0  0  0
    3.6860    7.5419    0.3940 C   0  0  0  0  0
    7.1924   -2.5604   -3.8734 H   0  0  0  0  0
    8.6768   -1.8042   -3.2629 H   0  0  0  0  0
    7.6117   -0.9044   -4.3535 H   0  0  0  0  0
    6.8775   -1.8193   -1.5186 H   0  0  0  0  0
    5.8105   -0.9209   -2.6198 H   0  0  0  0  0
    5.8384    0.3045   -0.4879 H   0  0  0  0  0
    8.0907    1.9620    0.1290 H   0  0  0  0  0
    6.4300    2.1392    0.7159 H   0  0  0  0  0
    5.8061    3.2618   -1.4668 H   0  0  0  0  0
    7.4614    3.1415   -2.0094 H   0  0  0  0  0
    6.6151    7.2743    1.1373 H   0  0  0  0  0
    9.2780    8.1370    1.1178 H   0  0  0  0  0
   11.5358    7.4340    0.3395 H   0  0  0  0  0
   11.8405    5.2909   -0.8529 H   0  0  0  0  0
    9.9038    3.8101   -1.3020 H   0  0  0  0  0
    4.5927    4.3504    0.9663 H   0  0  0  0  0
    4.3095    5.1390   -0.5710 H   0  0  0  0  0
    4.4680    5.6265    3.1029 H   0  0  0  0  0
    3.5063    7.5834    4.2665 H   0  0  0  0  0
    2.6658    9.5204    2.9647 H   0  0  0  0  0
    2.7838    9.4959    0.4871 H   0  0  0  0  0
    3.7439    7.5487   -0.6929 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  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  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  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 17  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
M  END

>  <Chemical Name>
N-0889

>  <PubChem CID>
19023747

>  <Formula>
C20H22N2O

>  <Molecular Weight>
306.409000

>  <IUPAC Name>
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]propanamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

>  <Isomeric SMILES>
CCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)

>  <InChI Key>
OLEHNCMFIDHEJG-UHFFFAOYSA-N

