N-(4-aminophenyl)octanamide

• ChemBase ID: 23474
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: C(=O)(Nc1ccc(N)cc1)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)Nc1ccc(cc1)N
• InChI: InChI=1S/C14H22N2O/c1-2-3-4-5-6-7-14(17)16-13-10-8-12(15)9-11-13/h8-11H,2-7,15H2,1H3,(H,16,17)
• InChIKey: HNAZVQNBRXUPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)octanamide
• IUPAC Traditional name: N-(4-aminophenyl)octanamide
• Synonyms: N-(4-Aminophenyl)octanamide

Database IDs

• MDL Number: MFCD09997474
• PubChem SID: 160986781
• PubChem CID: 43125168

CALCULATED PROPERTIES

• Acid pKa: 15.915154
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2913003
• LogD (pH = 7.4): 3.305229
• Log P: 3.3054094
• Molar Refractivity: 73.2533 cm^3
• Polarizability: 27.402935 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false