2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate

C15H20F3NO4Si — CID 10690077

IUPAC2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILESCOc1cc(C(=O)OCC[Si](C)(C)C)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C15H20F3NO4Si/c1-22-12-9-10(13(20)23-7-8-24(2,3)4)5-6-11(12)19-14(21)15(16,17)18/h5-6,9H,7-8H2,1-4H3,(H,19,21)
InChIKeyJASOCGUOMWOUAI-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.69
Rot. Bonds6

About 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate

2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate (PubChem CID 10690077) has the molecular formula C15H20F3NO4Si and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
PubChem CID10690077
Molecular FormulaC15H20F3NO4Si
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILESCOc1cc(C(=O)OCC[Si](C)(C)C)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C15H20F3NO4Si/c1-22-12-9-10(13(20)23-7-8-24(2,3)4)5-6-11(12)19-14(21)15(16,17)18/h5-6,9H,7-8H2,1-4H3,(H,19,21)
InChIKeyJASOCGUOMWOUAI-UHFFFAOYSA-N
XLogP3.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate with MolForge

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Related Compounds

2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
2-methoxyethyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19169299
2,2,2-trifluoro-N-(2-methoxy-4-pyridin-3-yloxyphenyl)acetamide
CID 97301950
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]-2,2,2-trifluoroacetamide
CID 82258660
methyl 4-[(2-chloroacetyl)amino]-3-methoxybenzoate
CID 83318590
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
propyl 3-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19171675
methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
The IUPAC name of 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate (CID 10690077) is 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate.
What is the SMILES notation for 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
The canonical SMILES for 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate is COc1cc(C(=O)OCC[Si](C)(C)C)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
The InChIKey is JASOCGUOMWOUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4Si/c1-22-12-9-10(13(20)23-7-8-24(2,3)4)5-6-11(12)19-14(21)15(16,17)18/h5-6,9H,7-8H2,1-4H3,(H,19,21).
What are the key properties of 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate?
2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate has a molecular weight of 363.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate is sourced from PubChem (CID 10690077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).