N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide

C19H21NO4 — CID 110423070

IUPACN-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C19H21NO4/c1-13-6-4-5-7-15(13)17(21)10-11-19(22)20-16-9-8-14(23-2)12-18(16)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyWHQJXEQLVABNOF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.61
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide

N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110423070) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110423070
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C19H21NO4/c1-13-6-4-5-7-15(13)17(21)10-11-19(22)20-16-9-8-14(23-2)12-18(16)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyWHQJXEQLVABNOF-UHFFFAOYSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-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

N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide (CID 110423070) is N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide is COc1ccc(NC(=O)CCC(=O)c2ccccc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is WHQJXEQLVABNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-6-4-5-7-15(13)17(21)10-11-19(22)20-16-9-8-14(23-2)12-18(16)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide?
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 327.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110423070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).