4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide

C19H21NO3 — CID 94324381

IUPAC4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H21NO3/c1-13-4-9-17(14(2)12-13)18(21)10-11-19(22)20-15-5-7-16(23-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyWQORESNTCYBXGC-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.91
Rot. Bonds6

About 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide

4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 94324381) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID94324381
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H21NO3/c1-13-4-9-17(14(2)12-13)18(21)10-11-19(22)20-15-5-7-16(23-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyWQORESNTCYBXGC-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide 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

4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 108796107
4-(2,4-dimethylphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210782
4-(2,5-dimethylphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4968937
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
2-(N-ethyl-2,4-dimethylanilino)-N-(4-methoxyphenyl)acetamide
CID 60524860
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
butyl 4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoate
CID 108807478
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-tert-butyl-4-(2,4-dimethylphenyl)-4-oxobutanamide
CID 94273837

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide (CID 94324381) is 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is WQORESNTCYBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-4-9-17(14(2)12-13)18(21)10-11-19(22)20-15-5-7-16(23-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide?
4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 311.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 94324381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).