2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide

• ChemBase ID: 665361
• Molecular Formular: C15H19N3O4
• Molecular Mass: 305.32906
• Monoisotopic Mass: 305.1375561
• SMILES: N1(C(=O)NCCC1=O)CC(=O)N(CCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)CCNC1=O)CCOc1ccccc1
• InChI: InChI=1S/C15H19N3O4/c1-17(9-10-22-12-5-3-2-4-6-12)14(20)11-18-13(19)7-8-16-15(18)21/h2-6H,7-11H2,1H3,(H,16,21)
• InChIKey: RJWFJNAEPBESTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
• IUPAC Traditional name: 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
• Synonyms: 2-(2,6-dioxotetrahydropyrimidin-1(2H)-yl)-N-methyl-N-(2-phenoxyethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.198422
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.22708924
• LogD (pH = 7.4): -0.22708991
• Log P: -0.22708923
• Molar Refractivity: 78.8946 cm^3
• Polarizability: 30.542326 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.99
• LOG S: -1.89
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6