N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 499368
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(C1CC(OCC1)(C)C)CC
• Canonical SMILES: CCN(C(=O)Cn1cccc(c1=O)OC)C1CCOC(C1)(C)C
• InChI: InChI=1S/C17H26N2O4/c1-5-19(13-8-10-23-17(2,3)11-13)15(20)12-18-9-6-7-14(22-4)16(18)21/h6-7,9,13H,5,8,10-12H2,1-4H3
• InChIKey: CVYFRDDPPBONTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-(3-methoxy-2-oxopyridin-1-yl)acetamide
• Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-2-(3-methoxy-2-oxopyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.2591
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.24007958
• LogD (pH = 7.4): 0.24007958
• Log P: 0.24007958
• Molar Refractivity: 89.6419 cm^3
• Polarizability: 33.929718 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.89
• LOG S: -2.31
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 5