[tert-butyl(dimethyl)silyl] 2-anilinoacetate

C14H23NO2Si — CID 69047191

IUPAC[tert-butyl(dimethyl)silyl] 2-anilinoacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CNc1ccccc1
InChIInChI=1S/C14H23NO2Si/c1-14(2,3)18(4,5)17-13(16)11-15-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3
InChIKeyAPUDYFYLPIOWDA-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.65
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 2-anilinoacetate

[tert-butyl(dimethyl)silyl] 2-anilinoacetate (PubChem CID 69047191) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-anilinoacetate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-anilinoacetate
PubChem CID69047191
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Name[tert-butyl(dimethyl)silyl] 2-anilinoacetate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CNc1ccccc1
InChIInChI=1S/C14H23NO2Si/c1-14(2,3)18(4,5)17-13(16)11-15-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3
InChIKeyAPUDYFYLPIOWDA-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
2-ethylbutyl 2-anilinoacetate
CID 114208440
[tert-butyl(dimethyl)silyl] 5-oxo-6-(triphenyl-λ5-phosphanylidene)hexanoate
CID 174911876
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
CID 898305
heptyl 2-anilinoacetate
CID 61302862
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
2-anilinoacetic acid;hydrazine
CID 67393863
3-[tert-butyl(dimethyl)silyl]oxypropyl N-phenylcarbamate
CID 177244740
trimethylsilyl 2-[(2-phenylacetyl)amino]acetate
CID 523699

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-anilinoacetate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-anilinoacetate (CID 69047191) is [tert-butyl(dimethyl)silyl] 2-anilinoacetate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-anilinoacetate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-anilinoacetate is CC(C)(C)[Si](C)(C)OC(=O)CNc1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-anilinoacetate?
The InChIKey is APUDYFYLPIOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-14(2,3)18(4,5)17-13(16)11-15-12-9-7-6-8-10-12/h6-10,15H,11H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-anilinoacetate?
[tert-butyl(dimethyl)silyl] 2-anilinoacetate has a molecular weight of 265.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-anilinoacetate is sourced from PubChem (CID 69047191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).