4-(4-methylphenyl)-4-oxo-N-phenylbutanamide

C17H17NO2 — CID 956933

IUPAC4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-13-7-9-14(10-8-13)16(19)11-12-17(20)18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyNZJIAIJHNZJNAO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds5

About 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide

4-(4-methylphenyl)-4-oxo-N-phenylbutanamide (PubChem CID 956933) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
PubChem CID956933
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H17NO2/c1-13-7-9-14(10-8-13)16(19)11-12-17(20)18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)
InChIKeyNZJIAIJHNZJNAO-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-N,4-diphenylbutanamide
CID 825307
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
4-(4-methylphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727454

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide (CID 956933) is 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide?
The InChIKey is NZJIAIJHNZJNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-7-9-14(10-8-13)16(19)11-12-17(20)18-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide?
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide has a molecular weight of 267.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 956933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).