N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 656144
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: C(=O)(N(C(c1ccc(cc1)OC)CC)CC)Cc1cnccc1
• Canonical SMILES: COc1ccc(cc1)C(N(C(=O)Cc1cccnc1)CC)CC
• InChI: InChI=1S/C19H24N2O2/c1-4-18(16-8-10-17(23-3)11-9-16)21(5-2)19(22)13-15-7-6-12-20-14-15/h6-12,14,18H,4-5,13H2,1-3H3
• InChIKey: CNMPJRZRCZNLEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8154047
• LogD (pH = 7.4): 2.8952916
• Log P: 2.8964384
• Molar Refractivity: 91.5915 cm^3
• Polarizability: 35.63851 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -2.27
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7