N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide

• ChemBase ID: 672718
• Molecular Formular: C16H20ClN3O4
• Molecular Mass: 353.8007
• Monoisotopic Mass: 353.11423382
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N(Cc1c(ccc(c1)Cl)OCC)C
• Canonical SMILES: CCOc1ccc(cc1CN(C(=O)CCC1NC(=O)NC1=O)C)Cl
• InChI: InChI=1S/C16H20ClN3O4/c1-3-24-13-6-4-11(17)8-10(13)9-20(2)14(21)7-5-12-15(22)19-16(23)18-12/h4,6,8,12H,3,5,7,9H2,1-2H3,(H2,18,19,22,23)
• InChIKey: MXXONGCJBHFFGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
• IUPAC Traditional name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
• Synonyms: N-(5-chloro-2-ethoxybenzyl)-3-(2,5-dioxo-4-imidazolidinyl)-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.627856
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.933425
• LogD (pH = 7.4): 0.930924
• Log P: 0.9334571
• Molar Refractivity: 88.5752 cm^3
• Polarizability: 34.286713 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.81
• LOG S: -2.47
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 7