trimethylsilyl 4-benzamidobutanoate

C14H21NO3Si — CID 10802651

IUPACtrimethylsilyl 4-benzamidobutanoate
SMILESC[Si](C)(C)OC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C14H21NO3Si/c1-19(2,3)18-13(16)10-7-11-15-14(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,15,17)
InChIKeyCFBQAPOGQATWHJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.57
Rot. Bonds6

About trimethylsilyl 4-benzamidobutanoate

trimethylsilyl 4-benzamidobutanoate (PubChem CID 10802651) has the molecular formula C14H21NO3Si and a molecular weight of 279.41 g/mol. Its IUPAC name is trimethylsilyl 4-benzamidobutanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-benzamidobutanoate
PubChem CID10802651
Molecular FormulaC14H21NO3Si
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Nametrimethylsilyl 4-benzamidobutanoate
SMILESC[Si](C)(C)OC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C14H21NO3Si/c1-19(2,3)18-13(16)10-7-11-15-14(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,15,17)
InChIKeyCFBQAPOGQATWHJ-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 10-benzamidodecanoate
CID 10808726
methyl 4-benzamidobutanoate
CID 13197711
trimethylsilyl 4-[(2-methylbenzoyl)amino]butanoate
CID 10780080
N-(4-oxopentyl)benzamide
CID 10798281
trimethylsilyl 8-[(2-fluorobenzoyl)amino]octanoate
CID 10760551
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673
methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-benzamidobutanoate?
The IUPAC name of trimethylsilyl 4-benzamidobutanoate (CID 10802651) is trimethylsilyl 4-benzamidobutanoate.
What is the SMILES notation for trimethylsilyl 4-benzamidobutanoate?
The canonical SMILES for trimethylsilyl 4-benzamidobutanoate is C[Si](C)(C)OC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of trimethylsilyl 4-benzamidobutanoate?
The InChIKey is CFBQAPOGQATWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3Si/c1-19(2,3)18-13(16)10-7-11-15-14(17)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,15,17).
What are the key properties of trimethylsilyl 4-benzamidobutanoate?
trimethylsilyl 4-benzamidobutanoate has a molecular weight of 279.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-benzamidobutanoate is sourced from PubChem (CID 10802651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).