trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate

C15H25NO3Si2 — CID 91709660

IUPACtrimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate
SMILESCC(=O)N(c1ccc(C(=O)O[Si](C)(C)C)cc1)[Si](C)(C)C
InChIInChI=1S/C15H25NO3Si2/c1-12(17)16(20(2,3)4)14-10-8-13(9-11-14)15(18)19-21(5,6)7/h8-11H,1-7H3
InChIKeyJEGQZAWLRMKGLR-UHFFFAOYSA-N
MW323.54 g/mol
LogP3.87
Rot. Bonds4

About trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate

trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate (PubChem CID 91709660) has the molecular formula C15H25NO3Si2 and a molecular weight of 323.54 g/mol. Its IUPAC name is trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate.

Molecular Properties

Compound Nametrimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate
PubChem CID91709660
Molecular FormulaC15H25NO3Si2
Molecular Weight323.54 g/mol
Exact Mass323.14
IUPAC Nametrimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate
SMILESCC(=O)N(c1ccc(C(=O)O[Si](C)(C)C)cc1)[Si](C)(C)C
InChIInChI=1S/C15H25NO3Si2/c1-12(17)16(20(2,3)4)14-10-8-13(9-11-14)15(18)19-21(5,6)7/h8-11H,1-7H3
InChIKeyJEGQZAWLRMKGLR-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-trimethylsilyl-N-[4-(1-trimethylsilyloxyethenyl)phenyl]carbamate
CID 58844395
trimethylsilyl 4-isocyanatobenzoate
CID 637657
bis(trimethylsilyl) furan-2,5-dicarboxylate
CID 521626
trimethylsilyl 4-acetyloxy-3-methylbenzoate
CID 91734163
bis(trimethylsilyl) 5-methylbenzene-1,3-dicarboxylate
CID 91741915
trimethylsilyl 4-(hexadecylamino)benzoate
CID 91735797
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
[tert-butyl(dimethyl)silyl] 4-ethylbenzoate
CID 91752604
trimethylsilyl N,N-bis(trimethylsilyl)carbamate
CID 91719351
4-[bis(trimethylsilyl)amino]benzenecarbothioic S-acid
CID 88850718
1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone
CID 24746358

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate?
The IUPAC name of trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate (CID 91709660) is trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate.
What is the SMILES notation for trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate?
The canonical SMILES for trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate is CC(=O)N(c1ccc(C(=O)O[Si](C)(C)C)cc1)[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate?
The InChIKey is JEGQZAWLRMKGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3Si2/c1-12(17)16(20(2,3)4)14-10-8-13(9-11-14)15(18)19-21(5,6)7/h8-11H,1-7H3.
What are the key properties of trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate?
trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate has a molecular weight of 323.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-[acetyl(trimethylsilyl)amino]benzoate is sourced from PubChem (CID 91709660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).