4-oxo-N,4-diphenylbutanamide

C16H15NO2 — CID 825307

IUPAC4-oxo-N,4-diphenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H15NO2/c18-15(13-7-3-1-4-8-13)11-12-16(19)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyDFJJWGIIYISGIS-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.29
Rot. Bonds5

About 4-oxo-N,4-diphenylbutanamide

4-oxo-N,4-diphenylbutanamide (PubChem CID 825307) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-oxo-N,4-diphenylbutanamide.

Molecular Properties

Compound Name4-oxo-N,4-diphenylbutanamide
PubChem CID825307
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-oxo-N,4-diphenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H15NO2/c18-15(13-7-3-1-4-8-13)11-12-16(19)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyDFJJWGIIYISGIS-UHFFFAOYSA-N
XLogP3.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
3-fluoro-N-phenylpropanamide
CID 70366284
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
2-phenacylsulfanyl-N-phenylacetamide
CID 569693

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,4-diphenylbutanamide?
The IUPAC name of 4-oxo-N,4-diphenylbutanamide (CID 825307) is 4-oxo-N,4-diphenylbutanamide.
What is the SMILES notation for 4-oxo-N,4-diphenylbutanamide?
The canonical SMILES for 4-oxo-N,4-diphenylbutanamide is O=C(CCC(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 4-oxo-N,4-diphenylbutanamide?
The InChIKey is DFJJWGIIYISGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15(13-7-3-1-4-8-13)11-12-16(19)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19).
What are the key properties of 4-oxo-N,4-diphenylbutanamide?
4-oxo-N,4-diphenylbutanamide has a molecular weight of 253.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,4-diphenylbutanamide is sourced from PubChem (CID 825307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).