2-(2,3-dimethoxy-5-methylphenyl)-N,N-dimethylbenzamide

• ChemBase ID: 678628
• Molecular Formular: C18H21NO3
• Molecular Mass: 299.36424
• Monoisotopic Mass: 299.15214354
• SMILES: c1(c2c(C(=O)N(C)C)cccc2)c(c(cc(c1)C)OC)OC
• Canonical SMILES: COc1cc(C)cc(c1OC)c1ccccc1C(=O)N(C)C
• InChI: InChI=1S/C18H21NO3/c1-12-10-15(17(22-5)16(11-12)21-4)13-8-6-7-9-14(13)18(20)19(2)3/h6-11H,1-5H3
• InChIKey: HQIYDBGDZLCFOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dimethoxy-5-methylphenyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-(2,3-dimethoxy-5-methylphenyl)-N,N-dimethylbenzamide
• Synonyms: 2',3'-dimethoxy-N,N,5'-trimethylbiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1165423
• LogD (pH = 7.4): 3.1165426
• Log P: 3.1165426
• Molar Refractivity: 88.0336 cm^3
• Polarizability: 34.60831 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.69
• LOG S: -2.83
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4