Summary

IMPPAT Phytochemical identifier: IMPHY015466

Phytochemical name: Tricyclo(3.3.1.13,7)decan-1-acetamide

Synonymous chemical names:
acetamide, 2-(adamantan-1-yl)

External chemical identifiers:
CID:86819, ZINC:ZINC000000085533, SureChEMBL:SCHEMBL1478949, MolPort-000-692-438

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Chemical structure information

SMILES:
NC(=O)CC12CC3CC(C2)CC(C1)C3

InChI:
InChI=1S/C12H19NO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14)

InChIKey:
BWHDTKLVHSIHSQ-UHFFFAOYSA-N

DeepSMILES:
NC=O)CCCCCCC6)CCC8)C6

Functional groups:
CC(N)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP-Likeness score: 0.014

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Chemical structure download