4-methyl-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide

• ChemBase ID: 499373
• Molecular Formular: C27H30N2O3
• Molecular Mass: 430.5387
• Monoisotopic Mass: 430.22564283
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1ccc(cc1)OCCc1ncccc1)CC1OCCC1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(Cc1ccc(cc1)OCCc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C27H30N2O3/c1-21-7-11-23(12-8-21)27(30)29(20-26-6-4-17-31-26)19-22-9-13-25(14-10-22)32-18-15-24-5-2-3-16-28-24/h2-3,5,7-14,16,26H,4,6,15,17-20H2,1H3
• InChIKey: QWBWASBUTFHYLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: 4-methyl-N-(oxolan-2-ylmethyl)-N-({4-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)benzamide
• Synonyms: 4-methyl-N-{4-[2-(2-pyridinyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4073787
• LogD (pH = 7.4): 4.592326
• Log P: 4.595336
• Molar Refractivity: 125.9344 cm^3
• Polarizability: 48.509495 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.54
• LOG S: -6.16
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9