2-(benzyloxy)-N-[2-(pyridin-4-yl)ethyl]acetamide

• ChemBase ID: 500107
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: C(=O)(NCCc1ccncc1)COCc1ccccc1
• Canonical SMILES: O=C(COCc1ccccc1)NCCc1ccncc1
• InChI: InChI=1S/C16H18N2O2/c19-16(13-20-12-15-4-2-1-3-5-15)18-11-8-14-6-9-17-10-7-14/h1-7,9-10H,8,11-13H2,(H,18,19)
• InChIKey: NPTBCCUIXXRFRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-N-[2-(pyridin-4-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(benzyloxy)-N-[2-(pyridin-4-yl)ethyl]acetamide
• Synonyms: 2-(benzyloxy)-N-(2-pyridin-4-ylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.07565
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4229062
• LogD (pH = 7.4): 1.537465
• Log P: 1.5392013
• Molar Refractivity: 77.6393 cm^3
• Polarizability: 30.125269 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.68
• LOG S: -1.31
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7