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

C19H33NO3Si — CID 91749293

IUPAC2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate
SMILESCC(C)COC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H33NO3Si/c1-15(2)14-22-18(21)20-13-17(16-11-9-8-10-12-16)23-24(6,7)19(3,4)5/h8-12,15,17H,13-14H2,1-7H3,(H,20,21)
InChIKeySUDNYVLMMNDTSR-UHFFFAOYSA-N
MW351.56 g/mol
LogP5.13
Rot. Bonds7

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

2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate (PubChem CID 91749293) has the molecular formula C19H33NO3Si and a molecular weight of 351.56 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate
PubChem CID91749293
Molecular FormulaC19H33NO3Si
Molecular Weight351.56 g/mol
Exact Mass351.22
IUPAC Name2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate
SMILESCC(C)COC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C19H33NO3Si/c1-15(2)14-22-18(21)20-13-17(16-11-9-8-10-12-16)23-24(6,7)19(3,4)5/h8-12,15,17H,13-14H2,1-7H3,(H,20,21)
InChIKeySUDNYVLMMNDTSR-UHFFFAOYSA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate (CID 91749293) is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate is CC(C)COC(=O)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
The InChIKey is SUDNYVLMMNDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3Si/c1-15(2)14-22-18(21)20-13-17(16-11-9-8-10-12-16)23-24(6,7)19(3,4)5/h8-12,15,17H,13-14H2,1-7H3,(H,20,21).
What are the key properties of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate?
2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate has a molecular weight of 351.56 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]carbamate is sourced from PubChem (CID 91749293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).