4-(octyloxy)benzamide

• ChemBase ID: 89215
• Molecular Formular: C15H23NO2
• Molecular Mass: 249.34862
• Monoisotopic Mass: 249.17287898
• SMILES: NC(=O)c1ccc(cc1)OCCCCCCCC
• Canonical SMILES: CCCCCCCCOc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H2,16,17)
• InChIKey: DYRDRXDKCHCTMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(octyloxy)benzamide
• IUPAC Traditional name: 4-(octyloxy)benzamide
• Synonyms: 4-Octyloxybenzamide

Database IDs

• MDL Number: MFCD00143362
• PubChem SID: 162076098
• PubChem CID: 3596735

CALCULATED PROPERTIES

• Acid pKa: 14.619284
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7683885
• LogD (pH = 7.4): 3.7683885
• Log P: 3.7683885
• Molar Refractivity: 73.8772 cm^3
• Polarizability: 28.566952 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant