N-(4-chloro-3-{[tris(propan-2-yl)silyl]oxy}phenyl)-2,2-dimethylpropanamide

• ChemBase ID: 164685
• Molecular Formular: C20H34ClNO2Si
• Molecular Mass: 384.02796
• Monoisotopic Mass: 383.20473355
• SMILES: c1c(c(ccc1NC(=O)C(C)(C)C)Cl)O[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccc(c(c1)O[Si](C(C)C)(C(C)C)C(C)C)Cl
• InChI: InChI=1S/C20H34ClNO2Si/c1-13(2)25(14(3)4,15(5)6)24-18-12-16(10-11-17(18)21)22-19(23)20(7,8)9/h10-15H,1-9H3,(H,22,23)
• InChIKey: YKMTWGAOPDJDTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-3-{[tris(propan-2-yl)silyl]oxy}phenyl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-{4-chloro-3-[(triisopropylsilyl)oxy]phenyl}-2,2-dimethylpropanamide
• Synonyms: N-[4-Chloro-3-[[tris(1-methylethyl)silyl]oxy]phenyl]-2,2-dimethylpropanamide; N-[4-Chloro-3-(triisopropylsilyloxy)phenyl]-2,2-dimethylpropanamide

Database IDs

• CAS Number: 342621-20-9
• PubChem SID: 162258820
• PubChem CID: 46781010

CALCULATED PROPERTIES

• Acid pKa: 13.560922
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 7.0065
• LogD (pH = 7.4): 7.0065
• Log P: 7.0065
• Molar Refractivity: 104.8704 cm^3
• Polarizability: 42.794853 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: White Solid