tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate

C16H27NO2Si — CID 22399693

IUPACtert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)19-15(18)17-14(20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3,(H,17,18)
InChIKeyHLERLJOBAPXCFP-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.00
Rot. Bonds4

About tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate

tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate (PubChem CID 22399693) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
PubChem CID22399693
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Nametert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H27NO2Si/c1-16(2,3)19-15(18)17-14(20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3,(H,17,18)
InChIKeyHLERLJOBAPXCFP-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoic acid
CID 18786657
lithium;hydride;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 174145347
CID 101486195
CID 101486195
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate (CID 22399693) is tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate?
The InChIKey is HLERLJOBAPXCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-16(2,3)19-15(18)17-14(20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate?
tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate has a molecular weight of 293.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenyl-1-trimethylsilylethyl)carbamate is sourced from PubChem (CID 22399693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).