3-(decyldimethylsilyl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide

• ChemBase ID: 154182
• Molecular Formular: C30H47NOSi
• Molecular Mass: 465.78578
• Monoisotopic Mass: 465.34269166
• SMILES: CCCCCCCCCC[Si](C)(C)CCC(=O)NC(Cc1ccc(cc1)C)c1ccccc1
• Canonical SMILES: CCCCCCCCCC[Si](CCC(=O)NC(c1ccccc1)Cc1ccc(cc1)C)(C)C
• InChI: InChI=1S/C30H47NOSi/c1-5-6-7-8-9-10-11-15-23-33(3,4)24-22-30(32)31-29(28-16-13-12-14-17-28)25-27-20-18-26(2)19-21-27/h12-14,16-21,29H,5-11,15,22-25H2,1-4H3,(H,31,32)
• InChIKey: NBYATBIMYLFITE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(decyldimethylsilyl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
• IUPAC Traditional name: 3-(decyldimethylsilyl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
• Synonyms: 3-[Decyldimethylsilyl]-N-[2-(4-methylphenyl)-1-phenethyl]propanamide; SA 58-035; Sandoz 58-035

Database IDs

• CAS Number: 78934-83-5
• MDL Number: MFCD00161339
• PubChem SID: 162248321; 24278227
• PubChem CID: 122215

CALCULATED PROPERTIES

• Acid pKa: 15.806283
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 9.089699
• LogD (pH = 7.4): 9.0897
• Log P: 9.0897
• Molar Refractivity: 139.9689 cm^3
• Polarizability: 57.213985 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: soluble16 mg/mL; H2O: insoluble
• Apperance: white powder

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... SOAT1(6646)rat ... Soat1(81782)

Product Information

• Purity: >98% (HPLC)
• Empirical Formula (Hill Notation): C30H47NOSi

DETAILS

Sigma Aldrich - S9318

Biochem/physiol Actions
Acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor.