2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide

• ChemBase ID: 322717
• Molecular Formular: C16H20N2O5
• Molecular Mass: 320.3404
• Monoisotopic Mass: 320.13722175
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(CCOc1ccccc1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)OC(C1=O)(C)C)CCOc1ccccc1
• InChI: InChI=1S/C16H20N2O5/c1-16(2)14(20)18(15(21)23-16)11-13(19)17(3)9-10-22-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
• InChIKey: RGVBRXODENVAMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0
• Log P: 1.57
• LOG S: -2.88
• Polar Surface Area: 76.15 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 16.101685
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2665888
• LogD (pH = 7.4): 1.2665888
• Log P: 1.2665888
• Molar Refractivity: 81.4526 cm^3
• Polarizability: 31.948519 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 6