N-(4-hydroxyphenyl)-3-methylbutanamide

• ChemBase ID: 307694
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(Nc1ccc(cc1)O)CC(C)C
• Canonical SMILES: CC(CC(=O)Nc1ccc(cc1)O)C
• InChI: InChI=1S/C11H15NO2/c1-8(2)7-11(14)12-9-3-5-10(13)6-4-9/h3-6,8,13H,7H2,1-2H3,(H,12,14)
• InChIKey: NFPBLAFQZXIWSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-3-methylbutanamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-3-methylbutanamide
• Synonyms: N-(4-hydroxyphenyl)-3-methylbutanamide

Database IDs

• CAS Number: 723755-75-7
• MDL Number: MFCD00461437

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3394673
• LogD (pH = 7.4): 2.3357825
• Log P: 2.3395145
• Molar Refractivity: 56.6784 cm^3
• Polarizability: 21.333313 Å^3
• Polar Surface Area: 49.33 Å^2