N-benzyl-N-(cyclobutylmethyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 441379
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: O=C(N(Cc1ccccc1)CC1CCC1)CN1C(=O)OC(C1=O)(C)C
• InChI: InChI=1S/C19H24N2O4/c1-19(2)17(23)21(18(24)25-19)13-16(22)20(12-15-9-6-10-15)11-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3
• InChIKey: VGZXEHMXIFHKHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.99
• LOG S: -4.26

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 16.041918
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.572158
• LogD (pH = 7.4): 2.572158
• Log P: 2.572158
• Molar Refractivity: 92.056 cm^3
• Polarizability: 36.016407 Å^3
• Polar Surface Area: 66.92 Å^2