5-Benzamido-4-oxo-6-phenylhexanoic acid

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Basic information

CAS: 83356-17-6
Standard SMILES: O=C(O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIKey: PXBRAPUFPFBCPW-UHFFFAOYSA-N
Molecular formula: C19H19NO4
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.13140809

Names & identifiers

Preferred name: 5-Benzamido-4-oxo-6-phenylhexanoic acid
IUPAC: 5-benzamido-4-oxo-6-phenylhexanoic acid

Names & synonyms

5-Benzamido-4-oxo-6-phenylhexanoic acidDTXSID1031945383356-17-6RefChem:301144DTXCID70270576PXBRAPUFPFBCPW-UHFFFAOYSA-NNSC345666SCHEMBL11125540NSC609300NSC-345666NSC-6093005-(Benzoylamino)-4-oxo-6-phenylhexanoic acid

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5-(Benzoylamino)-4-oxo-6-phenylhexanoic acid #

Database identifiers

CAS: 83356-17-6
PubChem CID: 335541
DTXSID: DTXSID10319453

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 437

Related reactions

2 records

New reaction record

HRID 195197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 205008As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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