N'1-{4-[(3-methoxyphenyl)carbamoyl]phenyl}cyclopropane-1,1-dicarboxamide

• ChemBase ID: 446142
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: C1(C(=O)Nc2ccc(C(=O)Nc3cc(OC)ccc3)cc2)(CC1)C(=O)N
• Canonical SMILES: COc1cccc(c1)NC(=O)c1ccc(cc1)NC(=O)C1(CC1)C(=O)N
• InChI: InChI=1S/C19H19N3O4/c1-26-15-4-2-3-14(11-15)21-16(23)12-5-7-13(8-6-12)22-18(25)19(9-10-19)17(20)24/h2-8,11H,9-10H2,1H3,(H2,20,24)(H,21,23)(H,22,25)
• InChIKey: BMRWIUGGWMIRJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-{4-[(3-methoxyphenyl)carbamoyl]phenyl}cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-{4-[(3-methoxyphenyl)carbamoyl]phenyl}cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-(4-{[(3-methoxyphenyl)amino]carbonyl}phenyl)cyclopropane-1,1-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.821211
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.8657302
• LogD (pH = 7.4): 1.8657287
• Log P: 1.8657303
• Molar Refractivity: 98.3573 cm^3
• Polarizability: 36.364082 Å^3
• Polar Surface Area: 110.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.08
• LOG S: -2.7
• Polar Surface Area: 110.52 Å^2
• Rotatable Bonds: 6