[(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

C34H41NO3Si — CID 10984383

IUPAC[(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C34H41NO3Si/c1-26(2)35(33(36)38-27(3)29-22-21-28-15-13-14-16-30(28)25-29)23-24-37-39(34(4,5)6,31-17-9-7-10-18-31)32-19-11-8-12-20-32/h7-22,25-27H,23-24H2,1-6H3/t27-/m1/s1
InChIKeyXRHVUAZLUBAQDT-HHHXNRCGSA-N
MW539.79 g/mol
LogP7.32
Rot. Bonds9

About [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate

[(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (PubChem CID 10984383) has the molecular formula C34H41NO3Si and a molecular weight of 539.79 g/mol. Its IUPAC name is [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
PubChem CID10984383
Molecular FormulaC34H41NO3Si
Molecular Weight539.79 g/mol
Exact Mass539.29
IUPAC Name[(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C34H41NO3Si/c1-26(2)35(33(36)38-27(3)29-22-21-28-15-13-14-16-30(28)25-29)23-24-37-39(34(4,5)6,31-17-9-7-10-18-31)32-19-11-8-12-20-32/h7-22,25-27H,23-24H2,1-6H3/t27-/m1/s1
InChIKeyXRHVUAZLUBAQDT-HHHXNRCGSA-N
XLogP7.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.79
LogP ≤ 57.32
H-Bond Donors ≤ 50
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 [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The IUPAC name of [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate (CID 10984383) is [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is CC(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
The InChIKey is XRHVUAZLUBAQDT-HHHXNRCGSA-N. The full InChI is InChI=1S/C34H41NO3Si/c1-26(2)35(33(36)38-27(3)29-22-21-28-15-13-14-16-30(28)25-29)23-24-37-39(34(4,5)6,31-17-9-7-10-18-31)32-19-11-8-12-20-32/h7-22,25-27H,23-24H2,1-6H3/t27-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate?
[(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate has a molecular weight of 539.79 g/mol, XLogP of 7.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-2-ylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 10984383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).