N-(4-hydroxyphenyl)-N,4-dimethylbenzamide

• ChemBase ID: 249492
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(N(c1ccc(cc1)O)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(c1ccc(cc1)O)C
• InChI: InChI=1S/C15H15NO2/c1-11-3-5-12(6-4-11)15(18)16(2)13-7-9-14(17)10-8-13/h3-10,17H,1-2H3
• InChIKey: ZAXDQTZNODCHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-N,4-dimethylbenzamide
• IUPAC Traditional name: N-(4-hydroxyphenyl)-N,4-dimethylbenzamide
• Synonyms: N-(4-hydroxyphenyl)-N,4-dimethylbenzamide

Database IDs

• CAS Number: 1148-53-4
• MDL Number: MFCD06655850
• PubChem SID: 164305402
• PubChem CID: 4962427

CALCULATED PROPERTIES

• Acid pKa: 9.400974
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1389985
• LogD (pH = 7.4): 3.1347666
• Log P: 3.1390529
• Molar Refractivity: 71.7295 cm^3
• Polarizability: 27.1462 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117°C
• Hydrophobicity(logP): 2.208

Product Information

• Purity: 95%