N-tert-butyl-2-(4-formylphenoxy)acetamide

• ChemBase ID: 312115
• Molecular Formular: C13H17NO3
• Molecular Mass: 235.27898
• Monoisotopic Mass: 235.12084341
• SMILES: C(=O)(NC(C)(C)C)COc1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)OCC(=O)NC(C)(C)C
• InChI: InChI=1S/C13H17NO3/c1-13(2,3)14-12(16)9-17-11-6-4-10(8-15)5-7-11/h4-8H,9H2,1-3H3,(H,14,16)
• InChIKey: QZLSWDRZHPOHTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-(4-formylphenoxy)acetamide
• IUPAC Traditional name: N-tert-butyl-2-(4-formylphenoxy)acetamide
• Synonyms: N-(tert-butyl)-2-(4-formylphenoxy)acetamide

Database IDs

• CAS Number: 838867-14-4
• MDL Number: MFCD06633263

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4767534
• LogD (pH = 7.4): 1.4767532
• Log P: 1.4767534
• Molar Refractivity: 65.7143 cm^3
• Polarizability: 25.160336 Å^3
• Polar Surface Area: 55.4 Å^2