N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide

C18H18N2O3 — CID 17418766

IUPACN-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O3/c1-13(21)19-15-8-5-9-16(12-15)20-18(23)11-10-17(22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,23)
InChIKeyWYYALTGMUZFQMY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.25
Rot. Bonds6

About N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide

N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide (PubChem CID 17418766) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
PubChem CID17418766
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O3/c1-13(21)19-15-8-5-9-16(12-15)20-18(23)11-10-17(22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,23)
InChIKeyWYYALTGMUZFQMY-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 55654482
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide (CID 17418766) is N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide is CC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide?
The InChIKey is WYYALTGMUZFQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(21)19-15-8-5-9-16(12-15)20-18(23)11-10-17(22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide?
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide has a molecular weight of 310.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 17418766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).