4-methyl-3-{[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino}benzamide

• ChemBase ID: 748969
• Molecular Formular: C14H18N4O3
• Molecular Mass: 290.31772
• Monoisotopic Mass: 290.13789046
• SMILES: C1(=O)N(CCC1NC(=O)Nc1cc(C(=O)N)ccc1C)C
• Canonical SMILES: Cc1ccc(cc1NC(=O)NC1CCN(C1=O)C)C(=O)N
• InChI: InChI=1S/C14H18N4O3/c1-8-3-4-9(12(15)19)7-11(8)17-14(21)16-10-5-6-18(2)13(10)20/h3-4,7,10H,5-6H2,1-2H3,(H2,15,19)(H2,16,17,21)
• InChIKey: WTDYMNUJNCADFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-{[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino}benzamide
• IUPAC Traditional name: 4-methyl-3-{[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino}benzamide
• Synonyms: 4-methyl-3-({[(1-methyl-2-oxopyrrolidin-3-yl)amino]carbonyl}amino)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.283105
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.31606832
• LogD (pH = 7.4): -0.31606817
• Log P: -0.3160677
• Molar Refractivity: 78.9559 cm^3
• Polarizability: 28.855827 Å^3
• Polar Surface Area: 104.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.31
• LOG S: -2.36
• Polar Surface Area: 104.53 Å^2
• Rotatable Bonds: 3