2-(naphthalen-2-yloxy)acetamide

• ChemBase ID: 90396
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: O(c1ccc2c(c1)cccc2)CC(=O)N
• Canonical SMILES: NC(=O)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H11NO2/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,13,14)
• InChIKey: LFWXXWQECWWZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)acetamide
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)acetamide
• Synonyms: 2-[(Naphth-2-yl)oxy]acetamide; 1-(2-Amino-2-oxoethoxy)naphthalene

Database IDs

• CAS Number: 35368-77-5
• MDL Number: MFCD00245699
• PubChem SID: 162077209
• PubChem CID: 3015768

CALCULATED PROPERTIES

• Acid pKa: 15.815273
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.476092
• LogD (pH = 7.4): 1.476092
• Log P: 1.476092
• Molar Refractivity: 56.8782 cm^3
• Polarizability: 23.416622 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-169°C

Safety Information

• Storage Warning: Harmful/Irritant