2-[2-(2-trimethylsilylethynyl)phenyl]butanamide

C15H21NOSi — CID 86712268

IUPAC2-[2-(2-trimethylsilylethynyl)phenyl]butanamide
SMILESCCC(C(N)=O)c1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C15H21NOSi/c1-5-13(15(16)17)14-9-7-6-8-12(14)10-11-18(2,3)4/h6-9,13H,5H2,1-4H3,(H2,16,17)
InChIKeyZHUIQORNWKXHDQ-UHFFFAOYSA-N
MW259.42 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide

2-[2-(2-trimethylsilylethynyl)phenyl]butanamide (PubChem CID 86712268) has the molecular formula C15H21NOSi and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide.

Molecular Properties

Compound Name2-[2-(2-trimethylsilylethynyl)phenyl]butanamide
PubChem CID86712268
Molecular FormulaC15H21NOSi
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-[2-(2-trimethylsilylethynyl)phenyl]butanamide
SMILESCCC(C(N)=O)c1ccccc1C#C[Si](C)(C)C
InChIInChI=1S/C15H21NOSi/c1-5-13(15(16)17)14-9-7-6-8-12(14)10-11-18(2,3)4/h6-9,13H,5H2,1-4H3,(H2,16,17)
InChIKeyZHUIQORNWKXHDQ-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide 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

3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide
CID 170876009
2-(2-ethylphenyl)butanamide
CID 69466890
2-[2-[chloro(difluoro)methyl]phenyl]butanamide
CID 67505681
[2-(2-trimethylsilylethynyl)phenyl]urea
CID 11299239
diethyl 2-[[2-(2-trimethylsilylethynyl)phenyl]methyl]propanedioate
CID 57409375
(2R)-2-phenylbutanamide
CID 139147476
ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
CID 57415176
2-(4-methyl-3-pyridinyl)butanamide
CID 67406036
methyl 5-methyl-4-oxo-2-[[2-(2-trimethylsilylethynyl)phenyl]methyl]hexanoate
CID 12027456
2-pyridin-4-ylbutanamide
CID 67405148
ethyl 3-methyl-4-(2-trimethylsilylethynyl)-1-benzofuran-2-carboxylate
CID 68715444
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide?
The IUPAC name of 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide (CID 86712268) is 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide.
What is the SMILES notation for 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide?
The canonical SMILES for 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide is CCC(C(N)=O)c1ccccc1C#C[Si](C)(C)C.
What is the InChIKey of 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide?
The InChIKey is ZHUIQORNWKXHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOSi/c1-5-13(15(16)17)14-9-7-6-8-12(14)10-11-18(2,3)4/h6-9,13H,5H2,1-4H3,(H2,16,17).
What are the key properties of 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide?
2-[2-(2-trimethylsilylethynyl)phenyl]butanamide has a molecular weight of 259.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-trimethylsilylethynyl)phenyl]butanamide is sourced from PubChem (CID 86712268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).