
 5-MeOT-N-butanyl

 48 49  0  0  0  0  0  0  0  0999 V2000
    4.9067    0.4170   -1.0190 C   0  0  0  0  0
    6.2559    0.3733   -1.7221 C   0  0  0  0  0
    6.7813    1.7608   -2.0863 C   0  0  0  0  0
    6.9119    2.6898   -0.8964 C   0  0  0  0  0
    6.3295    3.7682   -0.8466 O   0  0  0  0  0
    7.7405    2.2293    0.0989 N   0  0  0  0  0
    7.9842    2.9990    1.3050 C   0  0  0  0  0
    8.9108    4.2022    1.0972 C   0  0  0  0  0
   10.3073    3.8006    0.6825 C   0  0  0  0  0
   10.6198    3.6681   -0.6827 C   0  0  0  0  0
   11.9087    3.2534   -1.0751 C   0  0  0  0  0
   12.8535    2.9996   -0.0827 C   0  0  0  0  0
   12.5758    3.1357    1.2816 C   0  0  0  0  0
   11.2852    3.5324    1.6458 C   0  0  0  0  0
   14.0133    2.6195   -0.7162 N   0  0  0  0  0
   13.8292    2.6047   -2.0726 C   0  0  0  0  0
   12.5345    3.0080   -2.3402 C   0  0  0  0  0
   11.9076    3.1591   -3.6952 C   0  0  0  0  0
   11.9927    4.5891   -4.2356 C   0  0  0  0  0
   13.3612    5.0118   -4.4820 N   0  0  0  0  0
   13.6256    6.1979   -5.1295 C   0  0  0  0  0
   12.7715    6.8886   -5.6674 O   0  0  0  0  0
   15.0892    6.5492   -5.1606 C   0  0  0  0  0
    4.5395   -0.6006   -0.8452 H   0  0  0  0  0
    4.1648    0.9487   -1.6214 H   0  0  0  0  0
    4.9790    0.9118   -0.0453 H   0  0  0  0  0
    6.1577   -0.2161   -2.6408 H   0  0  0  0  0
    6.9753   -0.1536   -1.0851 H   0  0  0  0  0
    6.1078    2.2314   -2.8133 H   0  0  0  0  0
    7.7635    1.6770   -2.5666 H   0  0  0  0  0
    8.3493    1.4442   -0.0914 H   0  0  0  0  0
    8.4019    2.3061    2.0453 H   0  0  0  0  0
    7.0169    3.3496    1.6816 H   0  0  0  0  0
    8.9669    4.7744    2.0322 H   0  0  0  0  0
    8.4932    4.8895    0.3515 H   0  0  0  0  0
    9.8650    3.8793   -1.4365 H   0  0  0  0  0
   13.3292    2.9377    2.0378 H   0  0  0  0  0
   11.0503    3.6359    2.7036 H   0  0  0  0  0
   14.8712    2.3767   -0.2393 H   0  0  0  0  0
   14.6352    2.3130   -2.7316 H   0  0  0  0  0
   10.8536    2.8597   -3.6397 H   0  0  0  0  0
   12.3922    2.4681   -4.3976 H   0  0  0  0  0
   11.5481    5.3040   -3.5348 H   0  0  0  0  0
   11.4388    4.6626   -5.1787 H   0  0  0  0  0
   14.0706    4.6528   -3.8576 H   0  0  0  0  0
   15.5918    6.2196   -4.2461 H   0  0  0  0  0
   15.1996    7.6348   -5.2360 H   0  0  0  0  0
   15.5559    6.0720   -6.0250 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  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  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  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
M  END

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

>  <PubChem CID>
57340029

>  <Formula>
C18H25N3O2

>  <Molecular Weight>
315.417000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)

>  <InChI Key>
OYBADESTXHMBMD-UHFFFAOYSA-N

