N-(4-tert-butylphenyl)acetamide

• ChemBase ID: 84316
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N(c1ccc(cc1)C(C)(C)C)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C12H17NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
• InChIKey: RMUYDDKCUZHVHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-tert-butylphenyl)acetamide
• IUPAC Traditional name: N-(4-tert-butylphenyl)acetamide
• Synonyms: N1-[4-(tert-butyl)phenyl]acetamide

Database IDs

• CAS Number: 20330-45-4
• MDL Number: MFCD00043734
• PubChem SID: 162071432
• PubChem CID: 140672

CALCULATED PROPERTIES

• Acid pKa: 14.655749
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7560124
• LogD (pH = 7.4): 2.7560124
• Log P: 2.7560124
• Molar Refractivity: 59.5869 cm^3
• Polarizability: 22.503016 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%