4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid

C18H17NO4 — CID 22992511

IUPAC4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c20-16(10-11-18(22)23)14-6-8-15(9-7-14)19-17(21)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,22,23)
InChIKeyQIKLMXPIMWLQEQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.92
Rot. Bonds7

About 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid

4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid (PubChem CID 22992511) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid
PubChem CID22992511
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid
SMILESO=C(O)CCC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c20-16(10-11-18(22)23)14-6-8-15(9-7-14)19-17(21)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,22,23)
InChIKeyQIKLMXPIMWLQEQ-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N,4-diphenylbutanamide
CID 825307
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
CID 58506375
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-2-phenylacetamide
CID 163663430
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid?
The IUPAC name of 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid (CID 22992511) is 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid?
The canonical SMILES for 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid is O=C(O)CCC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid?
The InChIKey is QIKLMXPIMWLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-16(10-11-18(22)23)14-6-8-15(9-7-14)19-17(21)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)(H,22,23).
What are the key properties of 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid?
4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid has a molecular weight of 311.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid is sourced from PubChem (CID 22992511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).