tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate

C23H37NO2Si — CID 25150738

IUPACtert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
SMILESCC(C)[Si](C#CN(Cc1ccccc1)C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H37NO2Si/c1-18(2)27(19(3)4,20(5)6)16-15-24(22(25)26-23(7,8)9)17-21-13-11-10-12-14-21/h10-14,18-20H,17H2,1-9H3
InChIKeyWXIVWWMAQLWTMP-UHFFFAOYSA-N
MW387.64 g/mol
LogP6.60
Rot. Bonds5

About tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate

tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate (PubChem CID 25150738) has the molecular formula C23H37NO2Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
PubChem CID25150738
Molecular FormulaC23H37NO2Si
Molecular Weight387.64 g/mol
Exact Mass387.26
IUPAC Nametert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate
SMILESCC(C)[Si](C#CN(Cc1ccccc1)C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H37NO2Si/c1-18(2)27(19(3)4,20(5)6)16-15-24(22(25)26-23(7,8)9)17-21-13-11-10-12-14-21/h10-14,18-20H,17H2,1-9H3
InChIKeyWXIVWWMAQLWTMP-UHFFFAOYSA-N
XLogP6.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.64
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
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tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[2-[3-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethyl]carbamate
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tert-butyl N-oxido-N-(1-phenylpropan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate (CID 25150738) is tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate is CC(C)[Si](C#CN(Cc1ccccc1)C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
The InChIKey is WXIVWWMAQLWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2Si/c1-18(2)27(19(3)4,20(5)6)16-15-24(22(25)26-23(7,8)9)17-21-13-11-10-12-14-21/h10-14,18-20H,17H2,1-9H3.
What are the key properties of tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate?
tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate has a molecular weight of 387.64 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[2-tri(propan-2-yl)silylethynyl]carbamate is sourced from PubChem (CID 25150738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).