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A1B6B

Summary
Name:(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
Formula:C16 H20 N2 O2
Formal charge:0
Formula weight:272.342 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1s,5s)-3-[(2-methylphenyl)acetyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide
OpenEye OEToolkits3.1.0.03-[2-(2-methylphenyl)ethanoyl]-3-azabicyclo[3.1.1]heptane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1C)N1CC2CC(C2)(C1)C(N)=O
InChIInChI1.06InChI=1S/C16H20N2O2/c1-11-4-2-3-5-13(11)6-14(19)18-9-12-7-16(8-12,10-18)15(17)20/h2-5,12H,6-10H2,1H3,(H2,17,20)/t12-,16+
InChIKeyInChI1.06NSXJPJIBAXHMJJ-DRQUAOQDSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(N)=O
SMILESCACTVS3.385Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1ccccc1CC(=O)N2CC3CC(C3)(C2)C(=O)N

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PDB entries from 2026-02-04

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