ethyl N-{1-[3-(benzyloxy)phenyl]ethyl}-N-methylcarbamate

• ChemBase ID: 161866
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: c1c(cccc1C(C)N(C)C(=O)OCC)OCc1ccccc1
• Canonical SMILES: CCOC(=O)N(C(c1cccc(c1)OCc1ccccc1)C)C
• InChI: InChI=1S/C19H23NO3/c1-4-22-19(21)20(3)15(2)17-11-8-12-18(13-17)23-14-16-9-6-5-7-10-16/h5-13,15H,4,14H2,1-3H3
• InChIKey: AILWQHZCBRQEHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-{1-[3-(benzyloxy)phenyl]ethyl}-N-methylcarbamate
• IUPAC Traditional name: ethyl N-{1-[3-(benzyloxy)phenyl]ethyl}-N-methylcarbamate
• Synonyms: N-[1-(3'-Benzyloxyphenyl)ethyl]-N-methyl-O-ethylcarbamate

Database IDs

• CAS Number: 1159977-08-8
• PubChem SID: 162256001
• PubChem CID: 46780776

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1010127
• LogD (pH = 7.4): 4.1010127
• Log P: 4.1010127
• Molar Refractivity: 90.7387 cm^3
• Polarizability: 35.382847 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Colourless Oil