2-(2,6-dimethylpyridin-4-yl)-6-methoxy-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 489316
• Molecular Formular: C21H28N2O2
• Molecular Mass: 340.45922
• Monoisotopic Mass: 340.21507815
• SMILES: C(=O)(c1c(c2cc(nc(c2)C)C)cccc1OC)N(C(C)C)C(C)C
• Canonical SMILES: COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1cc(C)nc(c1)C
• InChI: InChI=1S/C21H28N2O2/c1-13(2)23(14(3)4)21(24)20-18(9-8-10-19(20)25-7)17-11-15(5)22-16(6)12-17/h8-14H,1-7H3
• InChIKey: WTRVNSQUGPYFKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpyridin-4-yl)-6-methoxy-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-(2,6-dimethylpyridin-4-yl)-N,N-diisopropyl-6-methoxybenzamide
• Synonyms: 2-(2,6-dimethylpyridin-4-yl)-N,N-diisopropyl-6-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.731246
• LogD (pH = 7.4): 3.3348992
• Log P: 3.3526263
• Molar Refractivity: 101.8901 cm^3
• Polarizability: 40.339848 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.31
• LOG S: -4.51
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5