2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

• ChemBase ID: 692584
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(C(Cc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1CC(N(C(=O)CN1C(=O)OC(C1=O)(C)C)C)C
• InChI: InChI=1S/C18H24N2O5/c1-12(10-13-8-6-7-9-14(13)24-5)19(4)15(21)11-20-16(22)18(2,3)25-17(20)23/h6-9,12H,10-11H2,1-5H3
• InChIKey: PVWLPUKTRSMUPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
• IUPAC Traditional name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
• Synonyms: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2-methoxyphenyl)-1-methylethyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.090704
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8945773
• LogD (pH = 7.4): 1.8945773
• Log P: 1.8945773
• Molar Refractivity: 91.15 cm^3
• Polarizability: 35.60783 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.11
• LOG S: -3.54
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 6