1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclobutane-1-carboxamide

• ChemBase ID: 450549
• Molecular Formular: C12H20N2O4
• Molecular Mass: 256.2982
• Monoisotopic Mass: 256.14230713
• SMILES: C1(=O)N(CCNC(=O)C2(COC)CCC2)CCO1
• Canonical SMILES: COCC1(CCC1)C(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C12H20N2O4/c1-17-9-12(3-2-4-12)10(15)13-5-6-14-7-8-18-11(14)16/h2-9H2,1H3,(H,13,15)
• InChIKey: GQEJXSBQESKFLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.443911
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.029427225
• LogD (pH = 7.4): 0.029427322
• Log P: 0.029427327
• Molar Refractivity: 64.3346 cm^3
• Polarizability: 25.272545 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.45
• LOG S: -1.46
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6