N-[5-(6-hydroxyhexyl)-6-methylpyridin-2-yl]acetamide

• ChemBase ID: 862169
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: n1c(NC(=O)C)ccc(c1C)CCCCCCO
• Canonical SMILES: Cc1nc(NC(=O)C)ccc1CCCCCCO
• InChI: InChI=1S/C14H22N2O2/c1-11-13(7-5-3-4-6-10-17)8-9-14(15-11)16-12(2)18/h8-9,17H,3-7,10H2,1-2H3,(H,15,16,18)
• InChIKey: OTYUOWJBYLQGLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(6-hydroxyhexyl)-6-methylpyridin-2-yl]acetamide
• IUPAC Traditional name: N-[5-(6-hydroxyhexyl)-6-methylpyridin-2-yl]acetamide
• Synonyms: N-[5-(6-hydroxyhexyl)-6-methylpyridin-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.282904
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8622717
• LogD (pH = 7.4): 2.016312
• Log P: 2.0186975
• Molar Refractivity: 73.644 cm^3
• Polarizability: 27.668013 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.03
• LOG S: -2.76
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 7