4-(3-hydroxy-3-methylbutyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

• ChemBase ID: 524357
• Molecular Formular: C17H24N2O4
• Molecular Mass: 320.38346
• Monoisotopic Mass: 320.17360726
• SMILES: C1(=O)N(CCNC(=O)c2ccc(cc2)CCC(O)(C)C)CCO1
• Canonical SMILES: O=C1OCCN1CCNC(=O)c1ccc(cc1)CCC(O)(C)C
• InChI: InChI=1S/C17H24N2O4/c1-17(2,22)8-7-13-3-5-14(6-4-13)15(20)18-9-10-19-11-12-23-16(19)21/h3-6,22H,7-12H2,1-2H3,(H,18,20)
• InChIKey: HSNQVTAHDKOAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-hydroxy-3-methylbutyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(3-hydroxy-3-methylbutyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
• Synonyms: 4-(3-hydroxy-3-methylbutyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.971718
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4038988
• LogD (pH = 7.4): 1.403899
• Log P: 1.4038991
• Molar Refractivity: 87.2069 cm^3
• Polarizability: 33.323067 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -2.32
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 7