N-{5-[2-(2,4-dioxoimidazolidin-1-yl)acetamido]-2-methoxyphenyl}benzamide

• ChemBase ID: 639381
• Molecular Formular: C19H18N4O5
• Molecular Mass: 382.37002
• Monoisotopic Mass: 382.1277197
• SMILES: C1(=O)NC(=O)CN1CC(=O)Nc1cc(NC(=O)c2ccccc2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)c1ccccc1)NC(=O)CN1CC(=O)NC1=O
• InChI: InChI=1S/C19H18N4O5/c1-28-15-8-7-13(20-16(24)10-23-11-17(25)22-19(23)27)9-14(15)21-18(26)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,24)(H,21,26)(H,22,25,27)
• InChIKey: WVQMGUMTDNXVLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-[2-(2,4-dioxoimidazolidin-1-yl)acetamido]-2-methoxyphenyl}benzamide
• IUPAC Traditional name: N-{5-[2-(2,4-dioxoimidazolidin-1-yl)acetamido]-2-methoxyphenyl}benzamide
• Synonyms: N-(5-{[(2,4-dioxoimidazolidin-1-yl)acetyl]amino}-2-methoxyphenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617631
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.6199216
• LogD (pH = 7.4): 0.6173611
• Log P: 0.61995435
• Molar Refractivity: 102.3014 cm^3
• Polarizability: 37.631985 Å^3
• Polar Surface Area: 116.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.21
• LOG S: -3.48
• Polar Surface Area: 116.84 Å^2
• Rotatable Bonds: 6