
 5-MeOT-N-propionyl

 45 46  0  0  0  0  0  0  0  0999 V2000
    9.7460    1.9802   -4.1427 C   0  0  0  0  0
    8.5858    2.8192   -4.6474 C   0  0  0  0  0
    7.3104    2.5663   -3.8709 C   0  0  0  0  0
    6.2950    2.1249   -4.4016 O   0  0  0  0  0
    7.3844    2.9044   -2.5381 N   0  0  0  0  0
    6.1956    2.8699   -1.7035 C   0  0  0  0  0
    6.4861    3.1898   -0.2343 C   0  0  0  0  0
    6.9828    4.6056   -0.0390 C   0  0  0  0  0
    6.0738    5.6792   -0.0602 C   0  0  0  0  0
    6.5421    7.0039    0.0706 C   0  0  0  0  0
    7.9138    7.2107    0.2123 C   0  0  0  0  0
    8.8392    6.1625    0.2516 C   0  0  0  0  0
    8.3492    4.8589    0.1290 C   0  0  0  0  0
    8.1108    8.5682    0.3067 N   0  0  0  0  0
    6.9129    9.2261    0.2394 C   0  0  0  0  0
    5.9069    8.2882    0.1024 C   0  0  0  0  0
    4.4347    8.5737    0.0224 C   0  0  0  0  0
    3.9528    8.8557   -1.4031 C   0  0  0  0  0
    4.0052    7.6793   -2.2550 N   0  0  0  0  0
    2.8841    6.9626   -2.5974 C   0  0  0  0  0
    1.7476    7.2593   -2.2431 O   0  0  0  0  0
    3.1630    5.7464   -3.4404 C   0  0  0  0  0
   10.6233    2.1233   -4.7814 H   0  0  0  0  0
    9.4893    0.9160   -4.1431 H   0  0  0  0  0
   10.0250    2.2563   -3.1207 H   0  0  0  0  0
    8.3955    2.5859   -5.7010 H   0  0  0  0  0
    8.8288    3.8860   -4.5879 H   0  0  0  0  0
    8.1363    3.5234   -2.2610 H   0  0  0  0  0
    5.7596    1.8675   -1.7844 H   0  0  0  0  0
    5.4724    3.5764   -2.1273 H   0  0  0  0  0
    7.2207    2.4800    0.1662 H   0  0  0  0  0
    5.5726    3.0522    0.3574 H   0  0  0  0  0
    5.0084    5.4960   -0.1753 H   0  0  0  0  0
    9.9010    6.3475    0.3793 H   0  0  0  0  0
    9.0569    4.0322    0.1649 H   0  0  0  0  0
    9.0128    9.0096    0.4205 H   0  0  0  0  0
    6.8758   10.3054    0.3075 H   0  0  0  0  0
    4.2187    9.4514    0.6449 H   0  0  0  0  0
    3.8709    7.7384    0.4554 H   0  0  0  0  0
    4.5748    9.6205   -1.8804 H   0  0  0  0  0
    2.9252    9.2330   -1.3678 H   0  0  0  0  0
    4.9213    7.3223   -2.4985 H   0  0  0  0  0
    4.1840    5.7455   -3.8282 H   0  0  0  0  0
    2.4756    5.7334   -4.2898 H   0  0  0  0  0
    3.0185    4.8504   -2.8317 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 14  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
M  END

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

>  <PubChem CID>
57340030

>  <Formula>
C17H23N3O2

>  <Molecular Weight>
301.390000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)

>  <InChI Key>
MNUNTXACESEZJT-UHFFFAOYSA-N

