2,3,5,6-tetramethyl-N-[2-(pyridin-3-yloxy)propyl]benzamide

• ChemBase ID: 675116
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(c(c(cc(c1C)C)C)C)C(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: CC(Oc1cccnc1)CNC(=O)c1c(C)c(C)cc(c1C)C
• InChI: InChI=1S/C19H24N2O2/c1-12-9-13(2)16(5)18(15(12)4)19(22)21-10-14(3)23-17-7-6-8-20-11-17/h6-9,11,14H,10H2,1-5H3,(H,21,22)
• InChIKey: JMJUJIKXNJXIGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetramethyl-N-[2-(pyridin-3-yloxy)propyl]benzamide
• IUPAC Traditional name: 2,3,5,6-tetramethyl-N-[2-(pyridin-3-yloxy)propyl]benzamide
• Synonyms: 2,3,5,6-tetramethyl-N-[2-(pyridin-3-yloxy)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.739541
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8763778
• LogD (pH = 7.4): 3.9432588
• Log P: 3.9442
• Molar Refractivity: 93.012 cm^3
• Polarizability: 35.11569 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 3.44
• LOG S: -4.41