2-methyl-3-(4-methylnaphthalene-1-carbonyl)-1-propyl-1H-indole

• ChemBase ID: 127945
• Molecular Formular: C24H23NO
• Molecular Mass: 341.44552
• Monoisotopic Mass: 341.17796436
• SMILES: CCCn1c(c(c2ccccc12)C(=O)c1ccc(c2ccccc12)C)C
• Canonical SMILES: CCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C
• InChI: InChI=1S/C24H23NO/c1-4-15-25-17(3)23(21-11-7-8-12-22(21)25)24(26)20-14-13-16(2)18-9-5-6-10-19(18)20/h5-14H,4,15H2,1-3H3
• InChIKey: WRIOMNWYCFMMEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(4-methylnaphthalene-1-carbonyl)-1-propyl-1H-indole
• IUPAC Traditional name: 2-methyl-3-(4-methylnaphthalene-1-carbonyl)-1-propylindole
• Synonyms: JWH-148

Database IDs

• CAS Number: 824955-99-9
• PubChem SID: 162222261
• PubChem CID: 45267819
• Wikipedia Title: JWH-148

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.336827
• LogD (pH = 7.4): 6.336827
• Log P: 6.336827
• Molar Refractivity: 108.5304 cm^3
• Polarizability: 43.90007 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false