2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide

C18H30F3NO4Si2 — CID 626681

IUPAC2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide
SMILESCOc1cc(C(CN(C)C(=O)C(F)(F)F)O[Si](C)(C)C)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H30F3NO4Si2/c1-22(17(23)18(19,20)21)12-16(26-28(6,7)8)13-9-10-14(15(11-13)24-2)25-27(3,4)5/h9-11,16H,12H2,1-8H3
InChIKeyGINZNHCPBCSDMI-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.82
Rot. Bonds8

About 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide

2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide (PubChem CID 626681) has the molecular formula C18H30F3NO4Si2 and a molecular weight of 437.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide
PubChem CID626681
Molecular FormulaC18H30F3NO4Si2
Molecular Weight437.61 g/mol
Exact Mass437.17
IUPAC Name2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide
SMILESCOc1cc(C(CN(C)C(=O)C(F)(F)F)O[Si](C)(C)C)ccc1O[Si](C)(C)C
InChIInChI=1S/C18H30F3NO4Si2/c1-22(17(23)18(19,20)21)12-16(26-28(6,7)8)13-9-10-14(15(11-13)24-2)25-27(3,4)5/h9-11,16H,12H2,1-8H3
InChIKeyGINZNHCPBCSDMI-UHFFFAOYSA-N
XLogP4.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide 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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoro-N-[(E)-2-(4-methoxyphenyl)ethenyl]acetamide
CID 16758985
2,2,2-trifluoro-N-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]-N-(4-trimethylsilylbut-2-ynyl)acetamide
CID 21598233
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
Propionic acid, pentafluoro-, triester with 2,2,3,3,3-pentafluoro-N-methyl-N-(beta,3,4-trihydroxyphenethyl)propionamide
CID 605340
Propanoic acid, pentafluoro-, 2-methoxy-4-[2-[methyl(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]-1-(2,2,3,3,3-pentafluoro-1-oxopropoxy)ethyl]phenyl ester
CID 605347
DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-
CID 617719
(+/-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-
CID 91716732
DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-
CID 91716862
Butanoic acid, heptafluoro-, 4-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)methylamino]ethyl]-1,2-phenylene ester, (-)-
CID 91737615
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 10788593
2,2,2-trifluoro-N-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]-N-[(Z)-4-trimethylsilylbut-2-enyl]acetamide
CID 10885931

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide (CID 626681) is 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide is COc1cc(C(CN(C)C(=O)C(F)(F)F)O[Si](C)(C)C)ccc1O[Si](C)(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide?
The InChIKey is GINZNHCPBCSDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO4Si2/c1-22(17(23)18(19,20)21)12-16(26-28(6,7)8)13-9-10-14(15(11-13)24-2)25-27(3,4)5/h9-11,16H,12H2,1-8H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide?
2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide has a molecular weight of 437.61 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]-N-methylacetamide is sourced from PubChem (CID 626681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).