(2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate

• ChemBase ID: 130420
• Molecular Formular: C22H29NO2
• Molecular Mass: 339.47116
• Monoisotopic Mass: 339.21982917
• SMILES: O=C(OC(c1ccccc1)(Cc1ccccc1)[C@@H](C)CN(C)C)CC
• Canonical SMILES: CCC(=O)OC(c1ccccc1)([C@H](CN(C)C)C)Cc1ccccc1
• InChI: InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m0/s1
• InChIKey: XLMALTXPSGQGBX-PGRDOPGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate
• IUPAC Traditional name: levopropoxyphene
• Synonyms: [(2R,3S)-4-dimethylamino-3-methyl-1,2-diphenyl-butan-2-yl]propanoate; Levopropoxyphene

Database IDs

• CAS Number: 2338-37-6
• PubChem SID: 162224699
• PubChem CID: 200742
• CHEMBL: 1213351
• Chemspider ID: 173777
• Wikipedia Title: Levopropoxyphene

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5163397
• LogD (pH = 7.4): 2.7993603
• Log P: 4.9021554
• Molar Refractivity: 102.8806 cm^3
• Polarizability: 40.66616 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true