2-(hexyloxy)benzamide

• ChemBase ID: 168836
• Molecular Formular: C13H19NO2
• Molecular Mass: 221.29546
• Monoisotopic Mass: 221.14157885
• SMILES: c1(ccccc1OCCCCCC)C(=O)N
• Canonical SMILES: CCCCCCOc1ccccc1C(=O)N
• InChI: InChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)
• InChIKey: CKSJXOVLXUMMFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hexyloxy)benzamide
• IUPAC Traditional name: 2-hexyloxybenzamide
• Synonyms: 2-(Hexyloxy)benzamide; 2-n-Hexyloxybenzamide; Exalamide; HBA; Hyperan; o-(Hexyloxy)benzamide; Exalamide; 2-(Hexyloxy)benzaMide

Database IDs

• CAS Number: 53370-90-4
• PubChem SID: 162262968
• PubChem CID: 3316

CALCULATED PROPERTIES

• Log P: 2.8792512
• Molar Refractivity: 64.6752 cm^3
• Polarizability: 24.884514 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 13.683357
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.879251
• LogD (pH = 7.4): 2.8792515

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 72-74°C

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - E952100

Exalamide is used as an antifungal (topical). Exalamide is a derivative of salicylamide.

REFERENCES

• Bevin, E.M., et al.: J. Pharm. Pharmacol., 4, 872 (1952)
• Kusunoki, T., et al.: J. Dermatol., 11, 227 (1952)