Summary

IMPPAT Phytochemical identifier: IMPHY006844

Phytochemical name: N-Acetyltryptamine

Synonymous chemical names:
n-2-1h-indol-3-ylethylacetamide, nb-acetyltryptamine

External chemical identifiers:
CID:70547, ChEMBL:CHEMBL33171, ChEBI:55515, ZINC:ZINC000000174849, SureChEMBL:SCHEMBL468850, MolPort-001-739-474

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Chemical structure information

SMILES:
CC(=O)NCCc1c[nH]c2c1cccc2

InChI:
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)

InChIKey:
NVUGEQAEQJTCIX-UHFFFAOYSA-N

DeepSMILES:
CC=O)NCCcc[nH]cc5cccc6

Functional groups:
CNC(C)=O, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

NP-Likeness score: -0.558

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Chemical structure download