N-(2-{4-[(5-ethylpyridin-2-yl)methyl]morpholin-2-yl}ethyl)acetamide

• ChemBase ID: 566701
• Molecular Formular: C16H25N3O2
• Molecular Mass: 291.3886
• Monoisotopic Mass: 291.19467706
• SMILES: N1(Cc2ncc(cc2)CC)CC(OCC1)CCNC(=O)C
• Canonical SMILES: CCc1ccc(nc1)CN1CCOC(C1)CCNC(=O)C
• InChI: InChI=1S/C16H25N3O2/c1-3-14-4-5-15(18-10-14)11-19-8-9-21-16(12-19)6-7-17-13(2)20/h4-5,10,16H,3,6-9,11-12H2,1-2H3,(H,17,20)
• InChIKey: LYHIFZFUYRMODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4-[(5-ethylpyridin-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{4-[(5-ethylpyridin-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{4-[(5-ethylpyridin-2-yl)methyl]morpholin-2-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.628583
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.20319995
• LogD (pH = 7.4): 0.6494277
• Log P: 0.6595213
• Molar Refractivity: 82.5675 cm^3
• Polarizability: 32.304333 Å^3
• Polar Surface Area: 54.46 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: -0.17
• LOG S: -1.19
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6