
 5-MeOT-N-hexanyl

 54 55  0  0  0  0  0  0  0  0999 V2000
   13.1918    6.4911    5.8984 C   0  0  0  0  0
   12.9722    7.5854    4.8654 C   0  0  0  0  0
   11.6590    7.4392    4.0922 C   0  0  0  0  0
   10.4174    7.6155    4.9738 C   0  0  0  0  0
    9.1138    7.7086    4.1819 C   0  0  0  0  0
    8.7418    6.4025    3.5104 C   0  0  0  0  0
    8.0937    5.5287    4.0762 O   0  0  0  0  0
    9.2170    6.2911    2.2232 N   0  0  0  0  0
    9.0859    5.0490    1.4850 C   0  0  0  0  0
    9.6184    5.1590    0.0539 C   0  0  0  0  0
   11.1224    5.3216    0.0030 C   0  0  0  0  0
   11.6959    6.6025   -0.0796 C   0  0  0  0  0
   13.0995    6.7510   -0.0980 C   0  0  0  0  0
   13.8892    5.6053   -0.0327 C   0  0  0  0  0
   13.3483    4.3183    0.0506 C   0  0  0  0  0
   11.9543    4.1983    0.0693 C   0  0  0  0  0
   15.2014    6.0151   -0.0689 N   0  0  0  0  0
   15.2689    7.3787   -0.1721 C   0  0  0  0  0
   13.9810    7.8770   -0.1986 C   0  0  0  0  0
   13.5849    9.3178   -0.3293 C   0  0  0  0  0
   13.3593    9.7501   -1.7823 C   0  0  0  0  0
   12.2825    9.0097   -2.4212 N   0  0  0  0  0
   11.4550    9.5719   -3.3599 C   0  0  0  0  0
   11.4913   10.7538   -3.6845 O   0  0  0  0  0
   10.4554    8.6110   -3.9465 C   0  0  0  0  0
   14.1619    6.6260    6.3878 H   0  0  0  0  0
   13.1843    5.5021    5.4291 H   0  0  0  0  0
   12.4237    6.5106    6.6768 H   0  0  0  0  0
   13.8028    7.5605    4.1497 H   0  0  0  0  0
   13.0074    8.5642    5.3574 H   0  0  0  0  0
   11.6398    6.4568    3.6066 H   0  0  0  0  0
   11.6468    8.1921    3.2944 H   0  0  0  0  0
   10.5248    8.5369    5.5594 H   0  0  0  0  0
   10.3476    6.7863    5.6871 H   0  0  0  0  0
    9.1709    8.5080    3.4337 H   0  0  0  0  0
    8.2904    7.9741    4.8558 H   0  0  0  0  0
    9.9691    6.9142    1.9606 H   0  0  0  0  0
    8.0210    4.7887    1.4644 H   0  0  0  0  0
    9.6066    4.2646    2.0465 H   0  0  0  0  0
    9.1404    5.9997   -0.4651 H   0  0  0  0  0
    9.3424    4.2581   -0.5081 H   0  0  0  0  0
   11.0643    7.4855   -0.1348 H   0  0  0  0  0
   13.9812    3.4378    0.0997 H   0  0  0  0  0
   11.5196    3.2022    0.1382 H   0  0  0  0  0
   15.9971    5.3929   -0.0341 H   0  0  0  0  0
   16.2277    7.8780   -0.2239 H   0  0  0  0  0
   14.3689    9.9476    0.1104 H   0  0  0  0  0
   12.6750    9.4985    0.2561 H   0  0  0  0  0
   14.2600    9.5834   -2.3832 H   0  0  0  0  0
   13.1316   10.8214   -1.8133 H   0  0  0  0  0
   12.3526    7.9986   -2.3943 H   0  0  0  0  0
   10.5807    7.5985   -3.5525 H   0  0  0  0  0
   10.5808    8.5794   -5.0321 H   0  0  0  0  0
    9.4470    8.9536   -3.6991 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
M  END

>  <Chemical Name>
5-MeOT-N-hexanyl

>  <PubChem CID>
57340028

>  <Formula>
C20H29N3O2

>  <Molecular Weight>
343.471000

>  <IUPAC Name>
N-[2-[3-(2-acetamidoethyl)-1H-indol-5-yl]ethyl]hexanamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC(=O)NCCC1=CC2=C(C=C1)NC=C2CCNC(=O)C

>  <Isomeric SMILES>
CCCCCC(=O)NCCC1=CC2=C(C=C1)NC=C2CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C20H29N3O2/c1-3-4-5-6-20(25)22-11-9-16-7-8-19-18(13-16)17(14-23-19)10-12-21-15(2)24/h7-8,13-14,23H,3-6,9-12H2,1-2H3,(H,21,24)(H,22,25)

>  <InChI Key>
WKVPAZPJXAUDEY-UHFFFAOYSA-N

