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

C17H28F3NO4Si2 — CID 6427696

IUPAC2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C17H28F3NO4Si2/c1-23-13-9-8-12(10-14(13)24-26(2,3)4)15(25-27(5,6)7)11-21-16(22)17(18,19)20/h8-10,15H,11H2,1-7H3,(H,21,22)
InChIKeyWXBNDUVLOQIRSJ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.48
Rot. Bonds8

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

2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide (PubChem CID 6427696) has the molecular formula C17H28F3NO4Si2 and a molecular weight of 423.58 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide
PubChem CID6427696
Molecular FormulaC17H28F3NO4Si2
Molecular Weight423.58 g/mol
Exact Mass423.15
IUPAC Name2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C
InChIInChI=1S/C17H28F3NO4Si2/c1-23-13-9-8-12(10-14(13)24-26(2,3)4)15(25-27(5,6)7)11-21-16(22)17(18,19)20/h8-10,15H,11H2,1-7H3,(H,21,22)
InChIKeyWXBNDUVLOQIRSJ-UHFFFAOYSA-N
XLogP4.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
n-[2-(3,4-Dimethoxyphenyl)ethyl]propanamide
CID 234679
Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,2-trifluoro-
CID 592128
N-Acetylmescaline
CID 100597
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 592133
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyacetamide
CID 885551
3-[tert-butyl(dimethyl)silyl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 70696705
(E)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylprop-2-enamide
CID 93475859
(E)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enamide
CID 145954644
(E)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enamide
CID 145955574
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 145957507
(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enamide
CID 145958353

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide (CID 6427696) is 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide is COc1ccc(C(CNC(=O)C(F)(F)F)O[Si](C)(C)C)cc1O[Si](C)(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide?
The InChIKey is WXBNDUVLOQIRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO4Si2/c1-23-13-9-8-12(10-14(13)24-26(2,3)4)15(25-27(5,6)7)11-21-16(22)17(18,19)20/h8-10,15H,11H2,1-7H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide has a molecular weight of 423.58 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methoxy-3-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethyl]acetamide is sourced from PubChem (CID 6427696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).