tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate

C19H33NO3Si — CID 73099305

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H33NO3Si/c1-18(2,3)22-17(21)20-14-16(15-12-10-9-11-13-15)23-24(7,8)19(4,5)6/h9-13,16H,14H2,1-8H3,(H,20,21)
InChIKeyLIIYFPYURIMFMQ-UHFFFAOYSA-N
MW351.56 g/mol
LogP5.27
Rot. Bonds5

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate (PubChem CID 73099305) has the molecular formula C19H33NO3Si and a molecular weight of 351.56 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate
PubChem CID73099305
Molecular FormulaC19H33NO3Si
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H33NO3Si/c1-18(2,3)22-17(21)20-14-16(15-12-10-9-11-13-15)23-24(7,8)19(4,5)6/h9-13,16H,14H2,1-8H3,(H,20,21)
InChIKeyLIIYFPYURIMFMQ-UHFFFAOYSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.56
LogP ≤ 55.27
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

Hexyl (2-hydroxy-2-phenylethyl)carbamate
CID 2840978
Pentyl (2-hydroxy-2-phenylethyl)carbamate
CID 2841235
tert-butyl N-(2-hydroxy-2-phenylethyl)carbamate
CID 9816137
tert-butyl N-(1-phenylmethoxyhexadecan-2-yl)carbamate
CID 44373569
tert-butyl N-(1-hydroxy-1-phenylpropan-2-yl)carbamate
CID 541439
(1R,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 14572256
tert-butyl N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate
CID 51441475
tert-butyl N-(1-phenylmethoxypentadecyl)carbamate
CID 44322467
ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10944080
tert-butyl N-((2S)-2-(2-fluorophenyl)-2-hydroxyethyl)carbamate
CID 52908201
tert-butyl N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]carbamate
CID 97325978
Tert-butyl (2-butoxy-2-(3,5-difluorophenyl)ethyl)carbamate
CID 171661704

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate (CID 73099305) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate is CC(C)(C)OC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
The InChIKey is LIIYFPYURIMFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3Si/c1-18(2,3)22-17(21)20-14-16(15-12-10-9-11-13-15)23-24(7,8)19(4,5)6/h9-13,16H,14H2,1-8H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate has a molecular weight of 351.56 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate is sourced from PubChem (CID 73099305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).