N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C29H44F3NO4Si2 — CID 10579178

About N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide

N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 10579178) has the molecular formula C29H44F3NO4Si2 and a molecular weight of 583.84 g/mol. Its IUPAC name is N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
• PubChem CID: 10579178
• Molecular Formula: C29H44F3NO4Si2
• Molecular Weight: 583.84 g/mol
• Exact Mass: 583.28
• IUPAC Name: N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C29H44F3NO4Si2/c1-27(2,3)38(7,8)36-24-16-13-22(19-25(24)37-39(9,10)28(4,5)6)20-33(26(35)29(30,31)32)18-17-21-11-14-23(34)15-12-21/h11-16,19,34H,17-18,20H2,1-10H3
• InChIKey: RDJBGMLUCYIZBN-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.84
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	1
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-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?

The IUPAC name of N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 10579178) is N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

What is the SMILES notation for N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?

The canonical SMILES for N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is CC(C)(C)[Si](C)(C)Oc1ccc(CN(CCc2ccc(O)cc2)C(=O)C(F)(F)F)cc1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?

The InChIKey is RDJBGMLUCYIZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44F3NO4Si2/c1-27(2,3)38(7,8)36-24-16-13-22(19-25(24)37-39(9,10)28(4,5)6)20-33(26(35)29(30,31)32)18-17-21-11-14-23(34)15-12-21/h11-16,19,34H,17-18,20H2,1-10H3.

What are the key properties of N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide?

N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 583.84 g/mol, XLogP of 8.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10579178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).