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

• ChemBase ID: 585020
• Molecular Formular: C17H22N2O6
• Molecular Mass: 350.36638
• Monoisotopic Mass: 350.14778643
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(cc1OC)CN(C(=O)CN1C(=O)OC(C1=O)(C)C)C
• InChI: InChI=1S/C17H22N2O6/c1-17(2)15(21)19(16(22)25-17)10-14(20)18(3)9-11-6-7-12(23-4)13(8-11)24-5/h6-8H,9-10H2,1-5H3
• InChIKey: FMQAEMYKLMXTFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methylacetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methylacetamide
• Synonyms: N-(3,4-dimethoxybenzyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.078018
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0316697
• LogD (pH = 7.4): 1.0316697
• Log P: 1.0316697
• Molar Refractivity: 88.4394 cm^3
• Polarizability: 34.493988 Å^3
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.27
• LOG S: -2.84
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 6