N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide

C15H19NO2Si — CID 141342772

IUPACN-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1C#C[Si](C)(C)C
InChIInChI=1S/C15H19NO2Si/c1-11(17)13-6-7-15(16-12(2)18)14(10-13)8-9-19(3,4)5/h6-7,10H,1-5H3,(H,16,18)
InChIKeyBMJQPCWBPBKRRV-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.08
Rot. Bonds2

About N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide

N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide (PubChem CID 141342772) has the molecular formula C15H19NO2Si and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide
PubChem CID141342772
Molecular FormulaC15H19NO2Si
Molecular Weight273.41 g/mol
Exact Mass273.12
IUPAC NameN-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1C#C[Si](C)(C)C
InChIInChI=1S/C15H19NO2Si/c1-11(17)13-6-7-15(16-12(2)18)14(10-13)8-9-19(3,4)5/h6-7,10H,1-5H3,(H,16,18)
InChIKeyBMJQPCWBPBKRRV-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-acetamido-3-(2-trimethylsilylethynyl)phenyl] trifluoromethanesulfonate
CID 135051784
N-[4-[2-(methylsulfamoyl)ethyl]-2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 66973773
methyl 2-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-4-(2-trimethylsilylethynyl)benzoate
CID 101224817
ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
CID 58475259
N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 152544721
[2-(2-trimethylsilylethynyl)phenyl]urea
CID 11299239
1-[5-(2-trimethylsilylethynyl)-3-pyridinyl]ethanone
CID 172994129
N-[4-acetyl-2-(4-methylphenyl)phenyl]acetamide
CID 126646825
N-[5-chloro-4-(2-hydroxyacetyl)-2-(2-trimethylsilylethynyl)phenyl]acetamide;1-(6-chloro-1H-indol-5-yl)-2-hydroxyethanone
CID 160708554
N-[2-[2-[6-[2-(2-acetamido-5-tert-butylphenyl)ethynyl]-2-pyridinyl]ethynyl]-4-tert-butylphenyl]acetamide
CID 173478253
2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 10738761
3,4-diacetamidobenzoic acid
CID 2735923

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide?
The IUPAC name of N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide (CID 141342772) is N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide.
What is the SMILES notation for N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide?
The canonical SMILES for N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide is CC(=O)Nc1ccc(C(C)=O)cc1C#C[Si](C)(C)C.
What is the InChIKey of N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide?
The InChIKey is BMJQPCWBPBKRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2Si/c1-11(17)13-6-7-15(16-12(2)18)14(10-13)8-9-19(3,4)5/h6-7,10H,1-5H3,(H,16,18).
What are the key properties of N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide?
N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide has a molecular weight of 273.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide is sourced from PubChem (CID 141342772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).