4-[(4-oxo-4-phenylbutanoyl)amino]benzamide

C17H16N2O3 — CID 9441934

IUPAC4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3/c18-17(22)13-6-8-14(9-7-13)19-16(21)11-10-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,22)(H,19,21)
InChIKeyMGSUUCNUFSIDKB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.39
Rot. Bonds6

About 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide

4-[(4-oxo-4-phenylbutanoyl)amino]benzamide (PubChem CID 9441934) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
PubChem CID9441934
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O3/c18-17(22)13-6-8-14(9-7-13)19-16(21)11-10-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,22)(H,19,21)
InChIKeyMGSUUCNUFSIDKB-UHFFFAOYSA-N
XLogP2.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N,4-diphenylbutanamide
CID 825307
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
S-[2-(4-carbamoylanilino)-2-oxoethyl] benzenecarbothioate
CID 2371904

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The IUPAC name of 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide (CID 9441934) is 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide.
What is the SMILES notation for 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The canonical SMILES for 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide is NC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
The InChIKey is MGSUUCNUFSIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-17(22)13-6-8-14(9-7-13)19-16(21)11-10-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,22)(H,19,21).
What are the key properties of 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide?
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-4-phenylbutanoyl)amino]benzamide is sourced from PubChem (CID 9441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).