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

• ChemBase ID: 710582
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C18H22N2O4/c1-18(2)16(22)20(17(23)24-18)11-15(21)19(3)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3
• InChIKey: ANKFEOGBNMYYSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.044746
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3358052
• LogD (pH = 7.4): 2.3358052
• Log P: 2.3358052
• Molar Refractivity: 87.6948 cm^3
• Polarizability: 34.105293 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.5
• LOG S: -3.74
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 3