N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

C36H57F6NO4Si3 — CID 528729

About N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 528729) has the molecular formula C36H57F6NO4Si3 and a molecular weight of 766.10 g/mol. Its IUPAC name is N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
• PubChem CID: 528729
• Molecular Formula: C36H57F6NO4Si3
• Molecular Weight: 766.10 g/mol
• Exact Mass: 765.35
• IUPAC Name: N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
• SMILES: CN(CC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C36H57F6NO4Si3/c1-32(2,3)48(11,12)45-28-18-17-24(21-29(28)46-49(13,14)33(4,5)6)30(47-50(15,16)34(7,8)9)23-43(10)31(44)25-19-26(35(37,38)39)22-27(20-25)36(40,41)42/h17-22,30H,23H2,1-16H3
• InChIKey: UMDBQTBNTLUKHK-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.10
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 528729) is N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is CN(CC(O[Si](C)(C)C(C)(C)C)c1ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

The InChIKey is UMDBQTBNTLUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57F6NO4Si3/c1-32(2,3)48(11,12)45-28-18-17-24(21-29(28)46-49(13,14)33(4,5)6)30(47-50(15,16)34(7,8)9)23-43(10)31(44)25-19-26(35(37,38)39)22-27(20-25)36(40,41)42/h17-22,30H,23H2,1-16H3.

What are the key properties of N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?

N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 766.10 g/mol, XLogP of 12.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 528729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).