ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate

C15H21NO2Si — CID 58475259

IUPACethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1C#C[Si](C)(C)C
InChIInChI=1S/C15H21NO2Si/c1-6-18-15(17)16-14-8-7-12(2)11-13(14)9-10-19(3,4)5/h7-8,11H,6H2,1-5H3,(H,16,17)
InChIKeyXZWWPLSBGAPHRS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.79
Rot. Bonds2

About ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate

ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate (PubChem CID 58475259) has the molecular formula C15H21NO2Si and a molecular weight of 275.42 g/mol. Its IUPAC name is ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
PubChem CID58475259
Molecular FormulaC15H21NO2Si
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Nameethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1C#C[Si](C)(C)C
InChIInChI=1S/C15H21NO2Si/c1-6-18-15(17)16-14-8-7-12(2)11-13(14)9-10-19(3,4)5/h7-8,11H,6H2,1-5H3,(H,16,17)
InChIKeyXZWWPLSBGAPHRS-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.79
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'}

Analyze ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate 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

ethyl N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]carbamate
CID 60813703
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
N-[4-acetyl-2-(2-trimethylsilylethynyl)phenyl]acetamide
CID 141342772
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
2-ethoxy-N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 60803704
ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922406
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-2,2-dimethylbutanamide
CID 62677312
ethyl N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]carbamate
CID 113050137
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[2-[(5-carbamoyl-2H-triazol-4-yl)amino]-5-methylphenyl]carbamate
CID 10852033

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate (CID 58475259) is ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate is CCOC(=O)Nc1ccc(C)cc1C#C[Si](C)(C)C.
What is the InChIKey of ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate?
The InChIKey is XZWWPLSBGAPHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2Si/c1-6-18-15(17)16-14-8-7-12(2)11-13(14)9-10-19(3,4)5/h7-8,11H,6H2,1-5H3,(H,16,17).
What are the key properties of ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate?
ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate has a molecular weight of 275.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-2-(2-trimethylsilylethynyl)phenyl]carbamate is sourced from PubChem (CID 58475259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).