3-[(E)-2-cyclohexylethenyl]-N,N-dimethylbenzamide

• ChemBase ID: 701728
• Molecular Formular: C17H23NO
• Molecular Mass: 257.37062
• Monoisotopic Mass: 257.17796436
• SMILES: C(=O)(c1cc(/C=C/C2CCCCC2)ccc1)N(C)C
• Canonical SMILES: CN(C(=O)c1cccc(c1)/C=C/C1CCCCC1)C
• InChI: InChI=1S/C17H23NO/c1-18(2)17(19)16-10-6-9-15(13-16)12-11-14-7-4-3-5-8-14/h6,9-14H,3-5,7-8H2,1-2H3/b12-11+
• InChIKey: XZVLZIOUHLSQII-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(E)-2-cyclohexylethenyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-[(E)-2-cyclohexylethenyl]-N,N-dimethylbenzamide
• Synonyms: 3-[(E)-2-cyclohexylvinyl]-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.996143
• LogD (pH = 7.4): 3.996143
• Log P: 3.996143
• Molar Refractivity: 81.44 cm^3
• Polarizability: 30.700665 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.5
• LOG S: -4.07
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3