tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate

C25H29NO2Si — CID 135050615

IUPACtert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO2Si/c1-25(2,3)28-24(27)26(20-21-14-8-5-9-15-21)29(4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,20H2,1-4H3
InChIKeyIIBOFZCFYWGEHE-UHFFFAOYSA-N
MW403.60 g/mol
LogP4.81
Rot. Bonds5

About tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate

tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate (PubChem CID 135050615) has the molecular formula C25H29NO2Si and a molecular weight of 403.60 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate
PubChem CID135050615
Molecular FormulaC25H29NO2Si
Molecular Weight403.60 g/mol
Exact Mass403.20
IUPAC Nametert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO2Si/c1-25(2,3)28-24(27)26(20-21-14-8-5-9-15-21)29(4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,20H2,1-4H3
InChIKeyIIBOFZCFYWGEHE-UHFFFAOYSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate (CID 135050615) is tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate?
The InChIKey is IIBOFZCFYWGEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2Si/c1-25(2,3)28-24(27)26(20-21-14-8-5-9-15-21)29(4,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,20H2,1-4H3.
What are the key properties of tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate?
tert-butyl N-benzyl-N-[methyl(diphenyl)silyl]carbamate has a molecular weight of 403.60 g/mol, XLogP of 4.81, 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-[methyl(diphenyl)silyl]carbamate is sourced from PubChem (CID 135050615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).