N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide

• ChemBase ID: 620901
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N(C1CC(OCC1)(C)C)CC
• Canonical SMILES: CCN(C1CCOC(C1)(C)C)C(=O)CN1C(=O)COc2c1nccc2
• InChI: InChI=1S/C18H25N3O4/c1-4-20(13-7-9-25-18(2,3)10-13)15(22)11-21-16(23)12-24-14-6-5-8-19-17(14)21/h5-6,8,13H,4,7,9-12H2,1-3H3
• InChIKey: GJJRITKSSYFENR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.191639
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.1287426
• LogD (pH = 7.4): 0.1290004
• Log P: 0.12900369
• Molar Refractivity: 92.0789 cm^3
• Polarizability: 35.738403 Å^3
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.64
• LOG S: -2.28
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 4