N-(13-methyltetradecyl)(2H3)acetamide

• ChemBase ID: 163605
• Molecular Formular: C17H35NO
• Molecular Mass: 269.4659
• Monoisotopic Mass: 269.27186475
• SMILES: C(CCCCCCCCCCCCNC(=O)C)(C)C
• Canonical SMILES: CC(CCCCCCCCCCCCNC(=O)C)C
• InChI: InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)
• InChIKey: AMLDBWWQKYLAHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(13-methyltetradecyl)(^2H₃)acetamide
• IUPAC Traditional name: N-(13-methyltetradecyl)(^2H₃)acetamide
• Synonyms: N-(13-Methyltetradecyl)acetamide-d3; Cap-A-d3; Capsi-amide-d3; Capsiamide-d3

Database IDs

• PubChem SID: 162257740
• PubChem CID: 71314498

CALCULATED PROPERTIES

• Acid pKa: 16.447847
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2499924
• LogD (pH = 7.4): 5.2499924
• Log P: 5.2499924
• Molar Refractivity: 83.7948 cm^3
• Polarizability: 33.27293 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - C175717

Labelled Capsiamide. Capsiamide is a long chain amide found in essential oil of Capsicum (all hot pepper varieties). Studies showed that Capsiamide decreased spontaneous motor activity and produced a significant prolongation of sleeping time after sodium

REFERENCES

• Takahashi, M. et al.: Koen Yohishu, 23, 1 (1979)
• Takahashi, M. et al.: Oyo Yakuri, 19, 231 (1979)