N-(oxolan-2-ylmethyl)-2-(phenylformamido)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 597863
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: N(C(=O)CNC(=O)c1ccccc1)(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: O=C(N(Cc1ccccn1)CC1CCCO1)CNC(=O)c1ccccc1
• InChI: InChI=1S/C20H23N3O3/c24-19(13-22-20(25)16-7-2-1-3-8-16)23(15-18-10-6-12-26-18)14-17-9-4-5-11-21-17/h1-5,7-9,11,18H,6,10,12-15H2,(H,22,25)
• InChIKey: WOXKNEVPQKSJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-2-(phenylformamido)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-2-(phenylformamido)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: N-{2-oxo-2-[(pyridin-2-ylmethyl)(tetrahydrofuran-2-ylmethyl)amino]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.949777
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1551327
• LogD (pH = 7.4): 1.1725891
• Log P: 1.1728166
• Molar Refractivity: 97.9215 cm^3
• Polarizability: 37.764153 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.55
• LOG S: -1.8
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7