3,4,5-trimethoxy-N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide

• ChemBase ID: 198132
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(C(=O)N(CCc2ncccc2)C)cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C18H22N2O4/c1-20(10-8-14-7-5-6-9-19-14)18(21)13-11-15(22-2)17(24-4)16(12-13)23-3/h5-7,9,11-12H,8,10H2,1-4H3
• InChIKey: CMPXHYPNFNPUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxy-N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3,4,5-trimethoxy-N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164254042
• PubChem CID: 907665

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5795366
• LogD (pH = 7.4): 1.6229253
• Log P: 1.6235098
• Molar Refractivity: 90.9523 cm^3
• Polarizability: 34.94727 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds