4-[2-(2,3-dimethylphenoxy)ethyl]-N,N-dimethylbenzamide

• ChemBase ID: 326709
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: C(=O)(c1ccc(cc1)CCOc1c(c(ccc1)C)C)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)CCOc1cccc(c1C)C)C
• InChI: InChI=1S/C19H23NO2/c1-14-6-5-7-18(15(14)2)22-13-12-16-8-10-17(11-9-16)19(21)20(3)4/h5-11H,12-13H2,1-4H3
• InChIKey: RNZQTBDYEYVLOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,3-dimethylphenoxy)ethyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-[2-(2,3-dimethylphenoxy)ethyl]-N,N-dimethylbenzamide
• Synonyms: 4-[2-(2,3-dimethylphenoxy)ethyl]-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.153544
• LogD (pH = 7.4): 4.153544
• Log P: 4.153544
• Molar Refractivity: 90.843 cm^3
• Polarizability: 34.255974 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.15
• LOG S: -4.06
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5