N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 318369
• Molecular Formular: C23H24N2O4
• Molecular Mass: 392.44766
• Monoisotopic Mass: 392.17360726
• SMILES: C(=O)(c1c(OC)cccc1)N(Cc1cc(c(cc1)OC)OC)Cc1ccncc1
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)c1ccccc1OC)Cc1ccncc1
• InChI: InChI=1S/C23H24N2O4/c1-27-20-7-5-4-6-19(20)23(26)25(15-17-10-12-24-13-11-17)16-18-8-9-21(28-2)22(14-18)29-3/h4-14H,15-16H2,1-3H3
• InChIKey: LWDQQAGDPFZCLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-(3,4-dimethoxybenzyl)-2-methoxy-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.919901
• LogD (pH = 7.4): 3.0278788
• Log P: 3.0294983
• Molar Refractivity: 111.3877 cm^3
• Polarizability: 42.681026 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.32
• LOG S: -3.26
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 5