2,4-dimethoxy-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 323624
• Molecular Formular: C28H33N3O5
• Molecular Mass: 491.57872
• Monoisotopic Mass: 491.24202117
• SMILES: c1(C(=O)N(Cc2cc(OCCN3CCOCC3)ccc2)Cc2ncccc2)c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)C(=O)N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C28H33N3O5/c1-33-24-9-10-26(27(19-24)34-2)28(32)31(21-23-7-3-4-11-29-23)20-22-6-5-8-25(18-22)36-17-14-30-12-15-35-16-13-30/h3-11,18-19H,12-17,20-21H2,1-2H3
• InChIKey: URIUIEQMDQEGKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 2,4-dimethoxy-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 2,4-dimethoxy-N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.7091527
• LogD (pH = 7.4): 2.8387632
• Log P: 2.9111142
• Molar Refractivity: 137.9591 cm^3
• Polarizability: 53.3817 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.73
• LOG S: -2.55
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 9