3,4,5-trimethoxy-N-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 316783
• Molecular Formular: C30H37N3O5
• Molecular Mass: 519.63188
• Monoisotopic Mass: 519.2733213
• SMILES: C(=O)(N(Cc1ncccc1)Cc1ccc(cc1)OCCN1CCCCC1)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)N(Cc1ccccn1)Cc1ccc(cc1)OCCN1CCCCC1
• InChI: InChI=1S/C30H37N3O5/c1-35-27-19-24(20-28(36-2)29(27)37-3)30(34)33(22-25-9-5-6-14-31-25)21-23-10-12-26(13-11-23)38-18-17-32-15-7-4-8-16-32/h5-6,9-14,19-20H,4,7-8,15-18,21-22H2,1-3H3
• InChIKey: VXUJAXKQTIZYSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxy-N-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 3,4,5-trimethoxy-N-({4-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 3,4,5-trimethoxy-N-{4-[2-(1-piperidinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.68243897
• LogD (pH = 7.4): 2.3543658
• Log P: 3.8223095
• Molar Refractivity: 147.4898 cm^3
• Polarizability: 57.048237 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.2
• LOG S: -4.29
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 9