2-(benzyloxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

• ChemBase ID: 524383
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: C(=O)(N(Cc1nccnc1)C)COCc1ccccc1
• Canonical SMILES: O=C(N(Cc1cnccn1)C)COCc1ccccc1
• InChI: InChI=1S/C15H17N3O2/c1-18(10-14-9-16-7-8-17-14)15(19)12-20-11-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3
• InChIKey: NQOSHQCEWGJQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(benzyloxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
• Synonyms: 2-(benzyloxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.780413
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.33801267
• LogD (pH = 7.4): 0.3380155
• Log P: 0.33801553
• Molar Refractivity: 75.1019 cm^3
• Polarizability: 29.231306 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.6
• LOG S: -1.69
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6