4-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethoxypyridin-3-yl)methyl]benzamide

• ChemBase ID: 764860
• Molecular Formular: C18H18N4O4
• Molecular Mass: 354.35992
• Monoisotopic Mass: 354.13280508
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2c(nccc2)OCC)cc1
• Canonical SMILES: CCOc1ncccc1CNC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C18H18N4O4/c1-2-26-17-13(4-3-9-19-17)10-20-16(24)12-5-7-14(8-6-12)22-11-15(23)21-18(22)25/h3-9H,2,10-11H2,1H3,(H,20,24)(H,21,23,25)
• InChIKey: QMBMUZNAYGPAGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethoxypyridin-3-yl)methyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethoxypyridin-3-yl)methyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064495
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.8053971
• LogD (pH = 7.4): 0.79692173
• Log P: 0.80612534
• Molar Refractivity: 93.6765 cm^3
• Polarizability: 35.3195 Å^3
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.97
• LOG S: -2.61
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 6