4-(diphenylamino)butyl acetate

• ChemBase ID: 84661
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: N(c1ccccc1)(c1ccccc1)CCCCOC(=O)C
• Canonical SMILES: CC(=O)OCCCCN(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H21NO2/c1-16(20)21-15-9-8-14-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3
• InChIKey: NXOWSKAKAGDOBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diphenylamino)butyl acetate
• IUPAC Traditional name: 4-(diphenylamino)butyl acetate
• Synonyms: 4-(diphenylamino)butyl acetate

Database IDs

• MDL Number: MFCD02180627
• PubChem SID: 162071777
• PubChem CID: 2782353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9650576
• LogD (pH = 7.4): 3.9651918
• Log P: 3.9651935
• Molar Refractivity: 84.3947 cm^3
• Polarizability: 32.889023 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true