4-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

• ChemBase ID: 742361
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N[C@@H](c2cc(OC)ccc2)C)cc1
• Canonical SMILES: COc1cccc(c1)[C@H](NC(=O)c1ccc(cc1)N1CC(=O)NC1=O)C
• InChI: InChI=1S/C19H19N3O4/c1-12(14-4-3-5-16(10-14)26-2)20-18(24)13-6-8-15(9-7-13)22-11-17(23)21-19(22)25/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23,25)/t12-/m1/s1
• InChIKey: ANJCTURDUCDAKN-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064495
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4889902
• LogD (pH = 7.4): 1.4799113
• Log P: 1.4891073
• Molar Refractivity: 95.1901 cm^3
• Polarizability: 36.18176 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.6
• LOG S: -3.14
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5