N-(1-phenylethyl)-3-trimethylsilylbutanamide

C15H25NOSi — CID 101207602

IUPACN-(1-phenylethyl)-3-trimethylsilylbutanamide
SMILESCC(NC(=O)CC(C)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NOSi/c1-12(18(3,4)5)11-15(17)16-13(2)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3,(H,16,17)
InChIKeyWKEBRKMLJYOKPU-UHFFFAOYSA-N
MW263.46 g/mol
LogP3.98
Rot. Bonds5

About N-(1-phenylethyl)-3-trimethylsilylbutanamide

N-(1-phenylethyl)-3-trimethylsilylbutanamide (PubChem CID 101207602) has the molecular formula C15H25NOSi and a molecular weight of 263.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-trimethylsilylbutanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-trimethylsilylbutanamide
PubChem CID101207602
Molecular FormulaC15H25NOSi
Molecular Weight263.46 g/mol
Exact Mass263.17
IUPAC NameN-(1-phenylethyl)-3-trimethylsilylbutanamide
SMILESCC(NC(=O)CC(C)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H25NOSi/c1-12(18(3,4)5)11-15(17)16-13(2)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3,(H,16,17)
InChIKeyWKEBRKMLJYOKPU-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
CID 7321191
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
5-methyl-3-[2-oxo-2-(1-phenylethylamino)ethyl]hexanoic acid
CID 59855513

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-trimethylsilylbutanamide?
The IUPAC name of N-(1-phenylethyl)-3-trimethylsilylbutanamide (CID 101207602) is N-(1-phenylethyl)-3-trimethylsilylbutanamide.
What is the SMILES notation for N-(1-phenylethyl)-3-trimethylsilylbutanamide?
The canonical SMILES for N-(1-phenylethyl)-3-trimethylsilylbutanamide is CC(NC(=O)CC(C)[Si](C)(C)C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-trimethylsilylbutanamide?
The InChIKey is WKEBRKMLJYOKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOSi/c1-12(18(3,4)5)11-15(17)16-13(2)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3,(H,16,17).
What are the key properties of N-(1-phenylethyl)-3-trimethylsilylbutanamide?
N-(1-phenylethyl)-3-trimethylsilylbutanamide has a molecular weight of 263.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-trimethylsilylbutanamide is sourced from PubChem (CID 101207602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).