N-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-yl)-2,2-dimethylpropanamide

• ChemBase ID: 800430
• Molecular Formular: C17H30N2O2Si
• Molecular Mass: 322.5178
• Monoisotopic Mass: 322.20765474
• SMILES: C(=O)(C(C)(C)C)Nc1nccc(c1)C(O[SiH](C)C)C(C)(C)C
• Canonical SMILES: C[SiH](OC(C(C)(C)C)c1ccnc(c1)NC(=O)C(C)(C)C)C
• InChI: InChI=1S/C17H30N2O2Si/c1-16(2,3)14(21-22(7)8)12-9-10-18-13(11-12)19-15(20)17(4,5)6/h9-11,14,22H,1-8H3,(H,18,19,20)
• InChIKey: RNSBPZNVCXOHOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-yl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-yl)-2,2-dimethylpropanamide
• Synonyms: N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide

Database IDs

• CAS Number: 618107-92-9

CALCULATED PROPERTIES

• Acid pKa: 11.967219
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.086382
• LogD (pH = 7.4): 4.0972476
• Log P: 4.0974
• Molar Refractivity: 88.5542 cm^3
• Polarizability: 36.344395 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%