N-(3-aminophenyl)-4-(hexyloxy)benzamide

• ChemBase ID: 22661
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: C(=O)(Nc1cc(N)ccc1)c1ccc(cc1)OCCCCCC
• Canonical SMILES: CCCCCCOc1ccc(cc1)C(=O)Nc1cccc(c1)N
• InChI: InChI=1S/C19H24N2O2/c1-2-3-4-5-13-23-18-11-9-15(10-12-18)19(22)21-17-8-6-7-16(20)14-17/h6-12,14H,2-5,13,20H2,1H3,(H,21,22)
• InChIKey: KDFFIXVNJYPGKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-4-(hexyloxy)benzamide
• IUPAC Traditional name: N-(3-aminophenyl)-4-(hexyloxy)benzamide
• Synonyms: N-(3-Aminophenyl)-4-(hexyloxy)benzamide

Database IDs

• MDL Number: MFCD09997091
• PubChem SID: 160985968
• PubChem CID: 28306295

CALCULATED PROPERTIES

• Acid pKa: 13.106396
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.283667
• LogD (pH = 7.4): 4.2914686
• Log P: 4.2915697
• Molar Refractivity: 95.8307 cm^3
• Polarizability: 35.807858 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false