N-cyclooctyl-2-{[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amino}acetamide

• ChemBase ID: 654610
• Molecular Formular: C19H31N3O2
• Molecular Mass: 333.46834
• Monoisotopic Mass: 333.24162725
• SMILES: N(C(c1ncccc1)COC)(CC(=O)NC1CCCCCCC1)C
• Canonical SMILES: COCC(c1ccccn1)N(CC(=O)NC1CCCCCCC1)C
• InChI: InChI=1S/C19H31N3O2/c1-22(18(15-24-2)17-12-8-9-13-20-17)14-19(23)21-16-10-6-4-3-5-7-11-16/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,21,23)
• InChIKey: DXXJSQIXHAQWKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-2-{[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amino}acetamide
• IUPAC Traditional name: N-cyclooctyl-2-{[2-methoxy-1-(pyridin-2-yl)ethyl](methyl)amino}acetamide
• Synonyms: N-cyclooctyl-2-[(2-methoxy-1-pyridin-2-ylethyl)(methyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 2.1430287
• LogD (pH = 7.4): 2.5188613
• Log P: 2.5265474
• Molar Refractivity: 95.7301 cm^3
• Polarizability: 37.905956 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.490548
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.71
• LOG S: -2.65
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4