N-{4-[2-(2,5-dioxoimidazolidin-4-yl)acetamido]-2-methoxyphenyl}-3-methylbutanamide

• ChemBase ID: 352585
• Molecular Formular: C17H22N4O5
• Molecular Mass: 362.38038
• Monoisotopic Mass: 362.15901982
• SMILES: N1C(=O)NC(C1=O)CC(=O)Nc1cc(c(NC(=O)CC(C)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1NC(=O)CC(C)C)NC(=O)CC1NC(=O)NC1=O
• InChI: InChI=1S/C17H22N4O5/c1-9(2)6-14(22)19-11-5-4-10(7-13(11)26-3)18-15(23)8-12-16(24)21-17(25)20-12/h4-5,7,9,12H,6,8H2,1-3H3,(H,18,23)(H,19,22)(H2,20,21,24,25)
• InChIKey: KQZQCSPPKLGFJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(2,5-dioxoimidazolidin-4-yl)acetamido]-2-methoxyphenyl}-3-methylbutanamide
• IUPAC Traditional name: N-{4-[2-(2,5-dioxoimidazolidin-4-yl)acetamido]-2-methoxyphenyl}-3-methylbutanamide
• Synonyms: N-(4-{[(2,5-dioxoimidazolidin-4-yl)acetyl]amino}-2-methoxyphenyl)-3-methylbutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.622873
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 0.42316413
• LogD (pH = 7.4): 0.42063433
• Log P: 0.42319646
• Molar Refractivity: 94.9554 cm^3
• Polarizability: 35.460526 Å^3
• Polar Surface Area: 125.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: -0.38
• LOG S: -2.83
• Polar Surface Area: 125.63 Å^2
• Rotatable Bonds: 7