2-(diethylamino)ethyl 2,2-diphenylpentanoate

• ChemBase ID: 129111
• Molecular Formular: C23H31NO2
• Molecular Mass: 353.49774
• Monoisotopic Mass: 353.23547924
• SMILES: O=C(OCCN(CC)CC)C(c1ccccc1)(c1ccccc1)CCC
• Canonical SMILES: CCCC(c1ccccc1)(c1ccccc1)C(=O)OCCN(CC)CC
• InChI: InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
• InChIKey: SNTQPLDRUZOSDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethyl 2,2-diphenylpentanoate
• IUPAC Traditional name: proadifen
• Synonyms: SKF 525-A; Proadifen

Database IDs

• CAS Number: 302-33-0
• PubChem SID: 162223410
• PubChem CID: 4910
• CHEMBL: 282567
• Chemspider ID: 4741
• Wikipedia Title: Proadifen

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4307017
• LogD (pH = 7.4): 4.042275
• Log P: 5.6110907
• Molar Refractivity: 107.903 cm^3
• Polarizability: 42.511787 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false