7AN

~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide

Created:2016-06-24
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count10
2D diagram of 7AN

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Chemical Component Summary

Name~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide
SynonymsN-acetyltryptamine
Systematic Name (OpenEye OEToolkits)~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide
FormulaC12 H14 N2 O
Molecular Weight202.252
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(=O)NCCc1c[nH]c2ccccc12
SMILESOpenEye OEToolkits2.0.5CC(=O)NCCc1c[nH]c2c1cccc2
Canonical SMILESCACTVS3.385 CC(=O)NCCc1c[nH]c2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.5 CC(=O)NCCc1c[nH]c2c1cccc2
InChIInChI1.03 InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyInChI1.03 NVUGEQAEQJTCIX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 70547
ChEMBL CHEMBL33171
ChEBI CHEBI:55515