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

C17H17NO2 — CID 7779680

IUPACN-(3-methylphenyl)-4-oxo-4-phenylbutanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO2/c1-13-6-5-9-15(12-13)18-17(20)11-10-16(19)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyLTMMPGSTYVLYMK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.60
Rot. Bonds5

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

N-(3-methylphenyl)-4-oxo-4-phenylbutanamide (PubChem CID 7779680) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-oxo-4-phenylbutanamide
PubChem CID7779680
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(3-methylphenyl)-4-oxo-4-phenylbutanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17NO2/c1-13-6-5-9-15(12-13)18-17(20)11-10-16(19)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyLTMMPGSTYVLYMK-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

N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-(3-iodophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
2-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzoyl]amino]acetic acid
CID 75429323
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-oxo-4-phenylbutanamide?
The IUPAC name of N-(3-methylphenyl)-4-oxo-4-phenylbutanamide (CID 7779680) is N-(3-methylphenyl)-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-(3-methylphenyl)-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-(3-methylphenyl)-4-oxo-4-phenylbutanamide is Cc1cccc(NC(=O)CCC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-oxo-4-phenylbutanamide?
The InChIKey is LTMMPGSTYVLYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-6-5-9-15(12-13)18-17(20)11-10-16(19)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-methylphenyl)-4-oxo-4-phenylbutanamide?
N-(3-methylphenyl)-4-oxo-4-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 N-(3-methylphenyl)-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 7779680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).