2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide

C21H26F3NO2Si — CID 91753852

IUPAC2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide
SMILESCC(Cc1ccccc1)N(Cc1ccccc1O[Si](C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C21H26F3NO2Si/c1-16(14-17-10-6-5-7-11-17)25(20(26)21(22,23)24)15-18-12-8-9-13-19(18)27-28(2,3)4/h5-13,16H,14-15H2,1-4H3
InChIKeyJCQRWPCCNCUYMF-UHFFFAOYSA-N
MW409.52 g/mol
LogP5.42
Rot. Bonds7

About 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide

2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide (PubChem CID 91753852) has the molecular formula C21H26F3NO2Si and a molecular weight of 409.52 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide
PubChem CID91753852
Molecular FormulaC21H26F3NO2Si
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide
SMILESCC(Cc1ccccc1)N(Cc1ccccc1O[Si](C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C21H26F3NO2Si/c1-16(14-17-10-6-5-7-11-17)25(20(26)21(22,23)24)15-18-12-8-9-13-19(18)27-28(2,3)4/h5-13,16H,14-15H2,1-4H3
InChIKeyJCQRWPCCNCUYMF-UHFFFAOYSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]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

Pholedrine, N-TFA-O-TMS
CID 529772
Hydroxyclobenzorex N-TFA-O-TMS
CID 91747733
Hydroxymefenorex N-TFA-O-TMS
CID 91753856
Tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-(2,5-difluorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 59656583
1-[(2S)-4-(2,5-difluorophenyl)-2-(2-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 69264938
2,2,2-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-prop-2-enylacetamide
CID 89232385
CID 142843028
CID 142843028
N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 10766116
[2-[(1R)-1-[(2,2,2-trifluoroacetyl)-[(1R)-1-[2-(trifluoromethylsulfonyloxy)phenyl]ethyl]amino]ethyl]phenyl] trifluoromethanesulfonate
CID 11365552
[2-[[Acetyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] methanesulfonate
CID 42811539
(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 43060687
3,3,3-trifluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 54913202

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide (CID 91753852) is 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide is CC(Cc1ccccc1)N(Cc1ccccc1O[Si](C)(C)C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide?
The InChIKey is JCQRWPCCNCUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3NO2Si/c1-16(14-17-10-6-5-7-11-17)25(20(26)21(22,23)24)15-18-12-8-9-13-19(18)27-28(2,3)4/h5-13,16H,14-15H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide?
2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-phenylpropan-2-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]acetamide is sourced from PubChem (CID 91753852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).