3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide

C12H18INOSi — CID 134858172

IUPAC3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide
SMILESCNC(=O)CC[Si](C)(C)c1ccc(I)cc1
InChIInChI=1S/C12H18INOSi/c1-14-12(15)8-9-16(2,3)11-6-4-10(13)5-7-11/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyZYUBWGKZQLVBMF-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.34
Rot. Bonds4

About 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide

3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide (PubChem CID 134858172) has the molecular formula C12H18INOSi and a molecular weight of 347.27 g/mol. Its IUPAC name is 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide
PubChem CID134858172
Molecular FormulaC12H18INOSi
Molecular Weight347.27 g/mol
Exact Mass347.02
IUPAC Name3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide
SMILESCNC(=O)CC[Si](C)(C)c1ccc(I)cc1
InChIInChI=1S/C12H18INOSi/c1-14-12(15)8-9-16(2,3)11-6-4-10(13)5-7-11/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKeyZYUBWGKZQLVBMF-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethyl(phenyl)silyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 10660014
N-[[(4-fluorophenyl)-dimethylsilyl]methyl]-3-sulfanylpropanamide
CID 87778413
N-[1-[dimethyl(phenyl)silyl]propyl]acetamide
CID 11075395
N-[[dimethyl(phenyl)silyl]methyl]acetamide
CID 262877
N-Methylacetamide--benzene (1/1)
CID 22601179
N-[dimethyl(phenyl)silyl]-N-methylacetamide
CID 53755669
benzene;ethane;N-methylacetamide
CID 54573873
N-[2-[dimethyl(phenyl)silyl]ethyl]acetamide
CID 69457802
2-[dimethyl(phenyl)silyl]-N-methylacetamide
CID 70602359
CID 70602361
CID 70602361
N-[2-[dimethyl(phenyl)silyl]ethyl]-3-sulfanylpropanamide
CID 87785224
N-[[dimethoxy(phenyl)silyl]oxymethyl]acetamide
CID 89823944

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide?
The IUPAC name of 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide (CID 134858172) is 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide?
The canonical SMILES for 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide is CNC(=O)CC[Si](C)(C)c1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide?
The InChIKey is ZYUBWGKZQLVBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INOSi/c1-14-12(15)8-9-16(2,3)11-6-4-10(13)5-7-11/h4-7H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide?
3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide has a molecular weight of 347.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)-dimethylsilyl]-N-methylpropanamide is sourced from PubChem (CID 134858172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).