Summary

IMPPAT Phytochemical identifier: IMPHY014447

Phytochemical name: 2-methyl-N-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]butanamide

Synonymous chemical names:
odorine

External chemical identifiers:
CID:57369849

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Chemical structure information

SMILES:
CCC(C(=O)NC1CCCN1C(=O)C=Cc1ccccc1)C

InChI:
InChI=1S/C18H24N2O2/c1-3-14(2)18(22)19-16-10-7-13-20(16)17(21)12-11-15-8-5-4-6-9-15/h4-6,8-9,11-12,14,16H,3,7,10,13H2,1-2H3,(H,19,22)

InChIKey:
KZAOEMMZRGEBST-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)NCCCCN5C=O)C=Ccccccc6))))))))))))))))C

Functional groups:
cC=CC(=O)N(C)C(C)NC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)N1CCCC1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)N1CCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Piperidine alkaloids

NP-Likeness score: 0.393

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Chemical structure download