4-Oxo-4-phenylbutanamide

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)CCC(=O)c1ccccc1
InChIKey: PNPJKWAGJXUHIQ-UHFFFAOYSA-N
Molecular formula: C10H11NO2
Average molar mass: 177.2 g/mol

Names & identifiers

Preferred name: 4-Oxo-4-phenylbutanamide
IUPAC: 4-oxo-4-phenylbutanamide

Names & synonyms

4-oxo-4-phenylbutanamidePropionamide, 3-benzoyl-4-oxo-4-phenyl-butyramidess-Benzoyl-propionamide4-oxo4-phenyl-butyramideSCHEMBL660788PNPJKWAGJXUHIQ-UHFFFAOYSA-N23132-29-8

Database identifiers

PubChem CID: 520022
Nikkaji: J1.580.223E

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 60.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 195

Related reactions

7 records

New reaction record

HRID 99761As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 413198As reactantuspto-grants-2003_05

HRID 429173As reactantuspto-grants-2001_11

HRID 584524As reactantuspto-grants-2005_08

HRID 1070194As reactantuspto-grants-2001_06

HRID 2299878As reactantuspto-grants-2002_12

HRID 2340876As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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