tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate

• ChemBase ID: 248023
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: C(=O)(NC(c1ccc(C2CC2)cc1)C)OC(C)(C)C
• Canonical SMILES: CC(c1ccc(cc1)C1CC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C16H23NO2/c1-11(17-15(18)19-16(2,3)4)12-5-7-13(8-6-12)14-9-10-14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18)
• InChIKey: OOLVDDHJQZDXQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate
• Synonyms: tert-butyl N-[1-(4-cyclopropylphenyl)ethyl]carbamate

Database IDs

• PubChem SID: 164303933
• PubChem CID: 71758365

CALCULATED PROPERTIES

• Acid pKa: 14.629727
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.78897
• LogD (pH = 7.4): 3.78897
• Log P: 3.78897
• Molar Refractivity: 76.2118 cm^3
• Polarizability: 29.83289 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.099

Product Information

• Purity: 95%