
 N-ACETYL-6-METHOXYTRYPTAMINE

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8205   -0.8054    2.9621 C   0  0  0  0  0
    4.2542    0.3083    2.1230 C   0  0  0  0  0
    3.3062    0.1363    1.3639 O   0  0  0  0  0
    4.9088    1.5084    2.2684 N   0  0  0  0  0
    4.5637    2.6675    1.4630 C   0  0  0  0  0
    5.1737    2.6364    0.0571 C   0  0  0  0  0
    6.6730    2.6724    0.0721 C   0  0  0  0  0
    7.4690    3.8008    0.1245 C   0  0  0  0  0
    8.7797    3.4040    0.1289 N   0  0  0  0  0
    8.8600    2.0326    0.0815 C   0  0  0  0  0
    7.5557    1.5454    0.0324 C   0  0  0  0  0
    7.3649    0.1505   -0.0361 C   0  0  0  0  0
    8.4764   -0.7042   -0.0573 C   0  0  0  0  0
    9.7708   -0.1889   -0.0173 C   0  0  0  0  0
    9.9807    1.1927    0.0689 C   0  0  0  0  0
   10.9192   -0.9374   -0.0330 O   0  0  0  0  0
   10.7999   -2.2529   -0.5627 C   0  0  0  0  0
    5.4428   -0.4189    3.7742 H   0  0  0  0  0
    5.4239   -1.4612    2.3294 H   0  0  0  0  0
    3.9979   -1.3743    3.4045 H   0  0  0  0  0
    5.8230    1.5084    2.7049 H   0  0  0  0  0
    4.9057    3.5496    2.0152 H   0  0  0  0  0
    3.4721    2.7210    1.3834 H   0  0  0  0  0
    4.8046    3.5028   -0.5059 H   0  0  0  0  0
    4.8310    1.7465   -0.4844 H   0  0  0  0  0
    7.2142    4.8519    0.1552 H   0  0  0  0  0
    9.5778    4.0236    0.1548 H   0  0  0  0  0
    6.3618   -0.2647   -0.0799 H   0  0  0  0  0
    8.2899   -1.7721   -0.0987 H   0  0  0  0  0
   10.9882    1.5939    0.1061 H   0  0  0  0  0
   11.8083   -2.6654   -0.6607 H   0  0  0  0  0
   10.3462   -2.2400   -1.5593 H   0  0  0  0  0
   10.2410   -2.9025    0.1175 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 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 16  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-6-METHOXYTRYPTAMINE

>  <PubChem CID>
1785786

>  <Formula>
C13H16N2O2

>  <Molecular Weight>
232.283000

>  <IUPAC Name>
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

>  <XlogP>
1.600

>  <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)14-6-5-10-8-15-13-7-11(17-2)3-4-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

>  <InChI Key>
NJYPALQXNVNJOH-UHFFFAOYSA-N

