2-(benzyloxy)acetamide

• ChemBase ID: 263331
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(=O)(N)COCc1ccccc1
• Canonical SMILES: NC(=O)COCc1ccccc1
• InChI: InChI=1S/C9H11NO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
• InChIKey: KPWDCOXYEPSQBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)acetamide
• IUPAC Traditional name: 2-(benzyloxy)acetamide
• Synonyms: 2-(benzyloxy)acetamide

Database IDs

• MDL Number: MFCD11643255
• PubChem SID: 164319241
• PubChem CID: 14984919

CALCULATED PROPERTIES

• Acid pKa: 15.885988
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5200632
• LogD (pH = 7.4): 0.5200632
• Log P: 0.5200632
• Molar Refractivity: 45.5319 cm^3
• Polarizability: 17.748636 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 0.548

Product Information

• Purity: 95%