2-[3-(1-methoxyethyl)phenyl]-N,N-dimethylbenzamide

• ChemBase ID: 819372
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: C(=O)(c1c(c2cc(C(OC)C)ccc2)cccc1)N(C)C
• Canonical SMILES: COC(c1cccc(c1)c1ccccc1C(=O)N(C)C)C
• InChI: InChI=1S/C18H21NO2/c1-13(21-4)14-8-7-9-15(12-14)16-10-5-6-11-17(16)18(20)19(2)3/h5-13H,1-4H3
• InChIKey: PXLJJVWQGOHNHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(1-methoxyethyl)phenyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-[3-(1-methoxyethyl)phenyl]-N,N-dimethylbenzamide
• Synonyms: 3'-(1-methoxyethyl)-N,N-dimethylbiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2108152
• LogD (pH = 7.4): 3.2108154
• Log P: 3.2108154
• Molar Refractivity: 86.0519 cm^3
• Polarizability: 34.049576 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.98
• LOG S: -2.96
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4