2-(tert-butoxy)acetamide

• ChemBase ID: 248716
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(=O)(COC(C)(C)C)N
• Canonical SMILES: NC(=O)COC(C)(C)C
• InChI: InChI=1S/C6H13NO2/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H2,7,8)
• InChIKey: XCJWDLNZICURGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butoxy)acetamide
• IUPAC Traditional name: 2-(tert-butoxy)acetamide
• Synonyms: 2-(tert-butoxy)acetamide

Database IDs

• MDL Number: MFCD16090210
• PubChem SID: 164304626
• PubChem CID: 20345835

CALCULATED PROPERTIES

• Acid pKa: 16.2132
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.15045023
• LogD (pH = 7.4): -0.15045021
• Log P: -0.15045023
• Molar Refractivity: 34.7249 cm^3
• Polarizability: 13.704357 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.069

Product Information

• Purity: 95%