(3R)-3-methyl-4-(morpholin-4-yl)-2,2-diphenyl-1-(pyrrolidin-1-yl)butan-1-one

• ChemBase ID: 130437
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: C[C@@H](CN1CCOCC1)C(c1ccccc1)(c1ccccc1)C(=O)N1CCCC1
• Canonical SMILES: C[C@H](C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)CN1CCOCC1
• InChI: InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1
• InChIKey: INUNXTSAACVKJS-NRFANRHFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-methyl-4-(morpholin-4-yl)-2,2-diphenyl-1-(pyrrolidin-1-yl)butan-1-one
• IUPAC Traditional name: levomoramide
• Synonyms: Levomoramide

Database IDs

• PubChem SID: 162224716
• PubChem CID: 10453145
• Unique Ingredient Identifier: 7M86YFN15D
• Wikipedia Title: Levomoramide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5076978
• LogD (pH = 7.4): 3.2307322
• Log P: 3.7531147
• Molar Refractivity: 117.3748 cm^3
• Polarizability: 45.848522 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Schedule I (US)