N-[4-(Dimethylamino)-4-phenylcyclohexyl]-I-oxobenzenepentanamide

HCID 11618103

Notes Reactions

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Basic information

CAS: 870076-00-9
Standard SMILES: CN(C)C1(c2ccccc2)CCC(NC(=O)CCCC(=O)c2ccccc2)CC1
InChIKey: KVBXMQNDDNSVRA-UHFFFAOYSA-N
Molecular formula: C25H32N2O2
Average molar mass: 392.5 g/mol
Monoisotopic mass: 392.24637827

Names & identifiers

Preferred name: N-[4-(Dimethylamino)-4-phenylcyclohexyl]-I-oxobenzenepentanamide
IUPAC: N-[4-(dimethylamino)-4-phenylcyclohexyl]-5-oxo-5-phenylpentanamide

Names & synonyms

KVBXMQNDDNSVRA-UHFFFAOYSA-NDTXSID901171427870076-00-9N-[4-(dimethylamino)-4-phenylcyclohexyl]-5-oxo-5-phenylpentanamideN-[4-(Dimethylamino)-4-phenylcyclohexyl]-I -oxobenzenepentanamide5-oxo-5-phenyl pentanoic acid (4-dimethylamino-4-phenylcyclohexyl)amide5-oxo-5-phenylpentanoic acid (4-dimethylamino-4-phenylcyclohexyl)amide

Database identifiers

CAS: 870076-00-9
PubChem CID: 11618103
DTXSID: DTXSID901171427

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 525

Related reactions

3 records

New reaction record

HRID 1225409As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1454181As reactantuspto-grants-2009_01

HRID 1454182As reactantuspto-grants-2009_01

Compound notes

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