4-(cyanomethyl)-3-methoxy-N-(2-oxocyclohexyl)benzamide

HCID 21990993
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Basic information

Standard SMILES
COc1cc(C(=O)NC2CCCCC2=O)ccc1CC#N
InChIKey
FOPXITRTVIOYGT-UHFFFAOYSA-N
Molecular formula
C16H18N2O3
Average molar mass
286.33 g/mol

Names & identifiers

Preferred name
4-(cyanomethyl)-3-methoxy-N-(2-oxocyclohexyl)benzamide
IUPAC
4-(cyanomethyl)-3-methoxy-N-(2-oxocyclohexyl)benzamide

Names & synonyms

SCHEMBL5832434FOPXITRTVIOYGT-UHFFFAOYSA-N4-(cyanomethyl)-3-methoxy-N-(2-oxocyclohexyl)benzamide

Database identifiers

PubChem CID
21990993

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
79.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Related reactions

3 records
New reaction record

Linked notes

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