3-(2-ethyl-1H-imidazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 741893
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: n1(c(ncc1)CC)CCC(=O)N(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: CCc1nccn1CCC(=O)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C19H26N4O2/c1-2-18-21-10-12-22(18)11-8-19(24)23(15-17-7-5-13-25-17)14-16-6-3-4-9-20-16/h3-4,6,9-10,12,17H,2,5,7-8,11,13-15H2,1H3
• InChIKey: OVKGBCJKWALLIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethyl-1H-imidazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-(2-ethylimidazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
• Synonyms: 3-(2-ethyl-1H-imidazol-1-yl)-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.25267988
• LogD (pH = 7.4): 1.067152
• Log P: 1.2643197
• Molar Refractivity: 95.5649 cm^3
• Polarizability: 37.189606 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.41
• LOG S: -1.6
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 8