4-ethyl-N,N-diphenylnaphthalene-1-carboxamide

• ChemBase ID: 168532
• Molecular Formular: C25H21NO
• Molecular Mass: 351.44034
• Monoisotopic Mass: 351.1623143
• SMILES: c1cc(c2c(c1C(=O)N(c1ccccc1)c1ccccc1)cccc2)CC
• Canonical SMILES: CCc1ccc(c2c1cccc2)C(=O)N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H21NO/c1-2-19-17-18-24(23-16-10-9-15-22(19)23)25(27)26(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18H,2H2,1H3
• InChIKey: FLUGAJPRMXKGGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N,N-diphenylnaphthalene-1-carboxamide
• IUPAC Traditional name: 4-ethyl-N,N-diphenylnaphthalene-1-carboxamide
• Synonyms: 4-Ethyl-N,N-diphenyl-1-naphthalenecarboxamide

Database IDs

• CAS Number: 824430-38-8
• PubChem SID: 162262664
• PubChem CID: 71316570

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.5346217
• LogD (pH = 7.4): 6.5346217
• Log P: 6.5346217
• Molar Refractivity: 110.5774 cm^3
• Polarizability: 43.794777 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

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

DETAILS

Toronto Research Chemicals - E917380

Used in the preparation of cannabinoids and their indole analogs with CB2 cannabinoid receptor selectivity.