N-({2-[2-(benzyloxy)ethyl]phenyl}methyl)propanamide

• ChemBase ID: 501830
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: C(=O)(NCc1c(CCOCc2ccccc2)cccc1)CC
• Canonical SMILES: CCC(=O)NCc1ccccc1CCOCc1ccccc1
• InChI: InChI=1S/C19H23NO2/c1-2-19(21)20-14-18-11-7-6-10-17(18)12-13-22-15-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,20,21)
• InChIKey: JHHRLZKHTUYVJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(benzyloxy)ethyl]phenyl}methyl)propanamide
• IUPAC Traditional name: N-({2-[2-(benzyloxy)ethyl]phenyl}methyl)propanamide
• Synonyms: N-{2-[2-(benzyloxy)ethyl]benzyl}propanamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 15.7185955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5073078
• LogD (pH = 7.4): 3.5073078
• Log P: 3.5073078
• Molar Refractivity: 89.5368 cm^3
• Polarizability: 34.6439 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 8
• H Acceptors: 2
• H Donor: 1
• Log P: 3.26
• LOG S: -4.15