benzyl N-benzyl-N-(2-hydroxyethyl)carbamate

• ChemBase ID: 245291
• Molecular Formular: C17H19NO3
• Molecular Mass: 285.33766
• Monoisotopic Mass: 285.13649347
• SMILES: C(=O)(N(Cc1ccccc1)CCO)OCc1ccccc1
• Canonical SMILES: OCCN(C(=O)OCc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C17H19NO3/c19-12-11-18(13-15-7-3-1-4-8-15)17(20)21-14-16-9-5-2-6-10-16/h1-10,19H,11-14H2
• InChIKey: RSFMUAGSZGKFFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-benzyl-N-(2-hydroxyethyl)carbamate
• IUPAC Traditional name: benzyl N-benzyl-N-(2-hydroxyethyl)carbamate
• Synonyms: benzyl N-benzyl-N-(2-hydroxyethyl)carbamate

Database IDs

• MDL Number: MFCD18263222
• PubChem SID: 164301201
• PubChem CID: 337567

CALCULATED PROPERTIES

• Acid pKa: 15.569241
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7951992
• LogD (pH = 7.4): 2.7951992
• Log P: 2.7951992
• Molar Refractivity: 81.4004 cm^3
• Polarizability: 31.641865 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.271

Product Information

• Purity: 95%