N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide

C20H34F3NO3Si2 — CID 6428500

IUPACN-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESCCCCN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C20H34F3NO3Si2/c1-8-9-14-24(19(25)20(21,22)23)15-18(27-29(5,6)7)16-10-12-17(13-11-16)26-28(2,3)4/h10-13,18H,8-9,14-15H2,1-7H3
InChIKeyZKNLSNZOBYTSPM-UHFFFAOYSA-N
MW449.66 g/mol
LogP5.98
Rot. Bonds10

About N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide

N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide (PubChem CID 6428500) has the molecular formula C20H34F3NO3Si2 and a molecular weight of 449.66 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide
PubChem CID6428500
Molecular FormulaC20H34F3NO3Si2
Molecular Weight449.66 g/mol
Exact Mass449.20
IUPAC NameN-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESCCCCN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C20H34F3NO3Si2/c1-8-9-14-24(19(25)20(21,22)23)15-18(27-29(5,6)7)16-10-12-17(13-11-16)26-28(2,3)4/h10-13,18H,8-9,14-15H2,1-7H3
InChIKeyZKNLSNZOBYTSPM-UHFFFAOYSA-N
XLogP5.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.66
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ephedrine, N-TFA-O-TMS
CID 528872
Pholedrine, N-TFA-O-TMS
CID 529772
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
Adrenaline, N-HFB-O-TMS
CID 6427695
Noradrenaline, N-HFB-O-TMS
CID 6427698
Corbasil, N-TFA-O-TMS
CID 6428501
Epinine, N-TFA-O-TMS
CID 6428502
Hydroxyamphetamine, N-TFA-O-TMS
CID 6428504
Isoprenaline, N-TFA-O-TMS
CID 6428505
Norfenephrine, N-TFA-O-TMS
CID 6428507
Octopamine, N-TFA-O-TMS
CID 6428508

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide (CID 6428500) is N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide is CCCCN(CC(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)C(=O)C(F)(F)F.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
The InChIKey is ZKNLSNZOBYTSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F3NO3Si2/c1-8-9-14-24(19(25)20(21,22)23)15-18(27-29(5,6)7)16-10-12-17(13-11-16)26-28(2,3)4/h10-13,18H,8-9,14-15H2,1-7H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide?
N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide has a molecular weight of 449.66 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-[2-trimethylsilyloxy-2-(4-trimethylsilyloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 6428500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).