tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

C26H39NO3Si — CID 68541142

IUPACtert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39NO3Si/c1-25(2,3)30-24(28)27(19-20-29-31(7,8)26(4,5)6)23(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23H,19-20H2,1-8H3
InChIKeyQAQXXAAPRATDKP-UHFFFAOYSA-N
MW441.69 g/mol
LogP7.03
Rot. Bonds7

About tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate

tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (PubChem CID 68541142) has the molecular formula C26H39NO3Si and a molecular weight of 441.69 g/mol. Its IUPAC name is tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
PubChem CID68541142
Molecular FormulaC26H39NO3Si
Molecular Weight441.69 g/mol
Exact Mass441.27
IUPAC Nametert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H39NO3Si/c1-25(2,3)30-24(28)27(19-20-29-31(7,8)26(4,5)6)23(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23H,19-20H2,1-8H3
InChIKeyQAQXXAAPRATDKP-UHFFFAOYSA-N
XLogP7.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.69
LogP ≤ 57.03
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 tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate (CID 68541142) is tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is CC(C)(C)OC(=O)N(CCO[Si](C)(C)C(C)(C)C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
The InChIKey is QAQXXAAPRATDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO3Si/c1-25(2,3)30-24(28)27(19-20-29-31(7,8)26(4,5)6)23(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23H,19-20H2,1-8H3.
What are the key properties of tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate?
tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate has a molecular weight of 441.69 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzhydryl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate is sourced from PubChem (CID 68541142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).