4-butoxybenzamide

• ChemBase ID: 262508
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C(=O)(c1ccc(cc1)OCCCC)N
• Canonical SMILES: CCCCOc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C11H15NO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H2,12,13)
• InChIKey: FGVYXJOVJVWXQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butoxybenzamide
• IUPAC Traditional name: P-butoxybenzamide
• Synonyms: 4-butoxybenzamide

Database IDs

• MDL Number: MFCD00143274
• PubChem SID: 164318418
• PubChem CID: 4306315

CALCULATED PROPERTIES

• Acid pKa: 14.619284
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9901137
• LogD (pH = 7.4): 1.9901139
• Log P: 1.9901139
• Molar Refractivity: 55.4732 cm^3
• Polarizability: 21.19938 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 2.423

Product Information

• Purity: 95%