
 N-acetyl-4-methoxytryptamine

 33 34  0  0  0  0  0  0  0  0999 V2000
    6.1365    0.0065   -4.1955 C   0  0  0  0  0
    5.4191    1.1945   -3.6125 C   0  0  0  0  0
    4.9842    2.1028   -4.3111 O   0  0  0  0  0
    5.3354    1.1699   -2.2432 N   0  0  0  0  0
    4.8008    2.2811   -1.4810 C   0  0  0  0  0
    5.3042    2.3000   -0.0352 C   0  0  0  0  0
    6.7869    2.5110    0.0665 C   0  0  0  0  0
    7.4183    3.7356    0.1710 C   0  0  0  0  0
    8.7659    3.5203    0.2388 N   0  0  0  0  0
    9.0381    2.1733    0.1885 C   0  0  0  0  0
    7.8173    1.5043    0.0662 C   0  0  0  0  0
    7.8308    0.0890   -0.0315 C   0  0  0  0  0
    9.0635   -0.5827   -0.0081 C   0  0  0  0  0
   10.2598    0.1187    0.1308 C   0  0  0  0  0
   10.2695    1.5104    0.2299 C   0  0  0  0  0
    6.6400   -0.5696   -0.2377 O   0  0  0  0  0
    6.5184   -1.7979    0.4754 C   0  0  0  0  0
    6.0858   -0.8577   -3.5269 H   0  0  0  0  0
    7.1839    0.2693   -4.3660 H   0  0  0  0  0
    5.6660   -0.2671   -5.1438 H   0  0  0  0  0
    5.7807    0.4147   -1.7283 H   0  0  0  0  0
    3.7100    2.1779   -1.4911 H   0  0  0  0  0
    5.0495    3.2187   -1.9914 H   0  0  0  0  0
    5.0255    1.3700    0.4741 H   0  0  0  0  0
    4.7922    3.1073    0.5040 H   0  0  0  0  0
    7.0192    4.7411    0.1945 H   0  0  0  0  0
    9.4676    4.2440    0.3079 H   0  0  0  0  0
    9.1127   -1.6610   -0.1224 H   0  0  0  0  0
   11.2023   -0.4243    0.1455 H   0  0  0  0  0
   11.2040    2.0544    0.3224 H   0  0  0  0  0
    5.4602   -2.0766    0.4779 H   0  0  0  0  0
    6.8431   -1.6981    1.5169 H   0  0  0  0  0
    7.0677   -2.5968   -0.0321 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
N-acetyl-4-methoxytryptamine

>  <PubChem CID>
44281254

>  <Formula>
C13H16N2O2

>  <Molecular Weight>
232.283000

>  <IUPAC Name>
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=C1C(=CC=C2)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=C1C(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C13H16N2O2/c1-9(16)14-7-6-10-8-15-11-4-3-5-12(17-2)13(10)11/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)

>  <InChI Key>
ZXGPNCSIPFYCDA-UHFFFAOYSA-N

