N-(4-tert-butylcyclohexyl)-2-chloroacetamide

• ChemBase ID: 312293
• Molecular Formular: C12H22ClNO
• Molecular Mass: 231.76218
• Monoisotopic Mass: 231.13899201
• SMILES: C(=O)(NC1CCC(C(C)(C)C)CC1)CCl
• Canonical SMILES: ClCC(=O)NC1CCC(CC1)C(C)(C)C
• InChI: InChI=1S/C12H22ClNO/c1-12(2,3)9-4-6-10(7-5-9)14-11(15)8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
• InChIKey: LARCNSYEWOQQCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-tert-butylcyclohexyl)-2-chloroacetamide
• IUPAC Traditional name: N-(4-tert-butylcyclohexyl)-2-chloroacetamide
• Synonyms: N-(4-tert-butylcyclohexyl)-2-chloroacetamide

Database IDs

• CAS Number: 500887-21-8
• MDL Number: MFCD08691885

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.848656
• LogD (pH = 7.4): 2.848656
• Log P: 2.848656
• Molar Refractivity: 63.3033 cm^3
• Polarizability: 25.135075 Å^3
• Polar Surface Area: 29.1 Å^2