2-(diethylamino)ethyl 2-phenylbutanoate

• ChemBase ID: 238338
• Molecular Formular: C16H25NO2
• Molecular Mass: 263.3752
• Monoisotopic Mass: 263.18852905
• SMILES: C(=O)(C(c1ccccc1)CC)OCCN(CC)CC
• Canonical SMILES: CCC(c1ccccc1)C(=O)OCCN(CC)CC
• InChI: InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
• InChIKey: CKWHSYRZDLWQFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethyl 2-phenylbutanoate
• IUPAC Traditional name: butetamate
• Synonyms: 2-(diethylamino)ethyl 2-phenylbutanoate

Database IDs

• MDL Number: MFCD00865223
• PubChem SID: 164294248
• PubChem CID: 27368

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2963066
• LogD (pH = 7.4): 1.9078727
• Log P: 3.4767036
• Molar Refractivity: 78.8265 cm^3
• Polarizability: 31.044285 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.015

Product Information

• Purity: 95%