(2H15)adamantane-1-carboxamide

• ChemBase ID: 159446
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: C12CC3CC(C1)(CC(C2)C3)C(=O)N
• Canonical SMILES: NC(=O)C12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
• InChIKey: CKBZJTAMRPPVSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁₅)adamantane-1-carboxamide
• IUPAC Traditional name: (^2H₁₅)adamantane-1-carboxamide
• Synonyms: Tricyclo[3.3.1.13,7]decane-1-carboxamide-d15; 1-Adamantanecarboxamide-d15

Database IDs

• PubChem SID: 162253581
• PubChem CID: 46780083

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 16.533367
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.572825
• LogD (pH = 7.4): 1.5728335
• Log P: 1.5728337
• Molar Refractivity: 50.2105 cm^3
• Polarizability: 20.010946 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - A207902

Reproduction of Sindbis virus strains sensitive and resistant to 1-adamantanecarboxamide.

REFERENCES

• Erice, A., et al.: N. Engl. J. Med., 320, 289 (1989)
• Andronova, V.L., et al.: Bull. Exper. Bio. Med., 129, 74 (2000).