4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide

C19H21NO2 — CID 78776242

IUPAC4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)20-18(22)10-9-17(21)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyZZORATHCCHCBPI-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.21
Rot. Bonds5

About 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide

4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 78776242) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID78776242
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)20-18(22)10-9-17(21)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyZZORATHCCHCBPI-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8859223
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 17497320

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide (CID 78776242) is 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is ZZORATHCCHCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)20-18(22)10-9-17(21)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide?
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 295.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 78776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).