N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide

C15H22N2O4 — CID 50875892

IUPACN-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)CCNC(=O)C(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-10(2)15(19)16-8-7-14(18)17-12-6-5-11(20-3)9-13(12)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJYPXTOZIBJGUBP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.80
Rot. Bonds7

About N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide

N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide (PubChem CID 50875892) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
PubChem CID50875892
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
SMILESCOc1ccc(NC(=O)CCNC(=O)C(C)C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-10(2)15(19)16-8-7-14(18)17-12-6-5-11(20-3)9-13(12)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJYPXTOZIBJGUBP-UHFFFAOYSA-N
XLogP1.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide 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

1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251
N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
CID 38956787
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide?
The IUPAC name of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide (CID 50875892) is N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide is COc1ccc(NC(=O)CCNC(=O)C(C)C)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide?
The InChIKey is JYPXTOZIBJGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)15(19)16-8-7-14(18)17-12-6-5-11(20-3)9-13(12)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide?
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide is sourced from PubChem (CID 50875892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).