N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide

• ChemBase ID: 501752
• Molecular Formular: C18H23N3O4
• Molecular Mass: 345.39292
• Monoisotopic Mass: 345.16885623
• SMILES: N1(C(=O)NCCC1=O)CC(=O)N(C1CC1)Cc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CN(C(=O)CN1C(=O)CCNC1=O)C1CC1
• InChI: InChI=1S/C18H23N3O4/c1-2-25-15-7-3-13(4-8-15)11-20(14-5-6-14)17(23)12-21-16(22)9-10-19-18(21)24/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,19,24)
• InChIKey: HPVAHDCIEVHUKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
• Synonyms: N-cyclopropyl-2-(2,6-dioxotetrahydropyrimidin-1(2H)-yl)-N-(4-ethoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.421994
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5180355
• LogD (pH = 7.4): 0.5180351
• Log P: 0.51803553
• Molar Refractivity: 91.378 cm^3
• Polarizability: 35.316456 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.22
• LOG S: -2.84
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7