
 5-MeOT-N-pentanyl

 51 52  0  0  0  0  0  0  0  0999 V2000
   14.3855    2.3567    4.3196 C   0  0  0  0  0
   15.2498    2.4571    3.0724 C   0  0  0  0  0
   14.5704    1.9285    1.8048 C   0  0  0  0  0
   13.2570    2.6238    1.4464 C   0  0  0  0  0
   13.4281    4.0907    1.1056 C   0  0  0  0  0
   14.4844    4.5744    0.7066 O   0  0  0  0  0
   12.2617    4.8122    1.2260 N   0  0  0  0  0
   12.2025    6.2343    0.9353 C   0  0  0  0  0
   12.2984    6.5308   -0.5639 C   0  0  0  0  0
   12.1793    8.0022   -0.8855 C   0  0  0  0  0
   11.0025    8.7071   -0.5723 C   0  0  0  0  0
   10.8959   10.0792   -0.8821 C   0  0  0  0  0
   11.9705   10.7036   -1.5119 C   0  0  0  0  0
   13.1464   10.0266   -1.8524 C   0  0  0  0  0
   13.2307    8.6686   -1.5260 C   0  0  0  0  0
   11.6172   12.0183   -1.7033 N   0  0  0  0  0
   10.3585   12.2479   -1.2137 C   0  0  0  0  0
    9.8696   11.0614   -0.7024 C   0  0  0  0  0
    8.5218   10.8377   -0.0928 C   0  0  0  0  0
    8.5259   11.0111    1.4285 C   0  0  0  0  0
    7.2159   10.7886    2.0165 N   0  0  0  0  0
    6.7106    9.5219    2.1943 C   0  0  0  0  0
    7.3203    8.5002    1.8983 O   0  0  0  0  0
    5.3339    9.4811    2.8009 C   0  0  0  0  0
   14.9618    2.6576    5.2002 H   0  0  0  0  0
   14.0368    1.3312    4.4754 H   0  0  0  0  0
   13.5141    3.0152    4.2579 H   0  0  0  0  0
   16.1683    1.8806    3.2356 H   0  0  0  0  0
   15.5587    3.4987    2.9318 H   0  0  0  0  0
   14.3736    0.8563    1.9280 H   0  0  0  0  0
   15.2744    2.0207    0.9683 H   0  0  0  0  0
   12.5277    2.5074    2.2553 H   0  0  0  0  0
   12.8312    2.1392    0.5587 H   0  0  0  0  0
   11.4459    4.3737    1.6328 H   0  0  0  0  0
   13.0095    6.7338    1.4839 H   0  0  0  0  0
   11.2504    6.5910    1.3466 H   0  0  0  0  0
   11.5151    5.9885   -1.1084 H   0  0  0  0  0
   13.2490    6.1457   -0.9534 H   0  0  0  0  0
   10.1669    8.2027   -0.0945 H   0  0  0  0  0
   13.9681   10.5281   -2.3539 H   0  0  0  0  0
   14.1408    8.1280   -1.7846 H   0  0  0  0  0
   12.2062   12.7084   -2.1478 H   0  0  0  0  0
    9.9152   13.2318   -1.2818 H   0  0  0  0  0
    8.1667    9.8340   -0.3563 H   0  0  0  0  0
    7.7998   11.5345   -0.5371 H   0  0  0  0  0
    8.8264   12.0319    1.6973 H   0  0  0  0  0
    9.2374   10.3215    1.8959 H   0  0  0  0  0
    6.6609   11.5928    2.2773 H   0  0  0  0  0
    4.8799   10.4747    2.8486 H   0  0  0  0  0
    5.4005    9.0736    3.8134 H   0  0  0  0  0
    4.6928    8.8410    2.1875 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
M  END

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

>  <PubChem CID>
57340031

>  <Formula>
C19H27N3O2

>  <Molecular Weight>
329.444000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C19H27N3O2/c1-3-4-5-19(24)21-10-8-15-6-7-18-17(12-15)16(13-22-18)9-11-20-14(2)23/h6-7,12-13,22H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,24)

>  <InChI Key>
BKACYKQVCNZPBM-UHFFFAOYSA-N

