2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide

C16H27NO2Si — CID 58856613

IUPAC2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)13-7-9-14(10-8-13)19-11-15(18)17-12-20(4,5)6/h7-10H,11-12H2,1-6H3,(H,17,18)
InChIKeyJHWSMAIHUXQRPG-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide

2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide (PubChem CID 58856613) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
PubChem CID58856613
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC[Si](C)(C)C)cc1
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)13-7-9-14(10-8-13)19-11-15(18)17-12-20(4,5)6/h7-10H,11-12H2,1-6H3,(H,17,18)
InChIKeyJHWSMAIHUXQRPG-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N'-methylacetohydrazide
CID 116820676
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-(4-tert-butylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889231
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
2-(4-tert-butylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633311
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
2-(4-tert-butylphenoxy)acetyl chloride
CID 611195
2-(4-tert-butylphenoxy)-N-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]acetamide
CID 11559184

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide (CID 58856613) is 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide is CC(C)(C)c1ccc(OCC(=O)NC[Si](C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide?
The InChIKey is JHWSMAIHUXQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-16(2,3)13-7-9-14(10-8-13)19-11-15(18)17-12-20(4,5)6/h7-10H,11-12H2,1-6H3,(H,17,18).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide?
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide has a molecular weight of 293.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide is sourced from PubChem (CID 58856613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).