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

• ChemBase ID: 563649
• Molecular Formular: C17H22N4O5
• Molecular Mass: 362.38038
• Monoisotopic Mass: 362.15901982
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1cc(c(NC(=O)C(C)(C)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1NC(=O)C(C)(C)C)NC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C17H22N4O5/c1-17(2,3)15(24)20-11-6-5-10(7-12(11)26-4)19-13(22)9-21-14(23)8-18-16(21)25/h5-7H,8-9H2,1-4H3,(H,18,25)(H,19,22)(H,20,24)
• InChIKey: BFFCZLXEDJHHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.328195
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.5653157
• LogD (pH = 7.4): 0.56526583
• Log P: 0.5653163
• Molar Refractivity: 95.3333 cm^3
• Polarizability: 35.460373 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: -1.34
• LOG S: -2.01
• Polar Surface Area: 116.84 Å^2
• Rotatable Bonds: 6