tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate

C11H23NO3 — CID 19916832

IUPACtert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)12(7-8-13)9(14)15-11(4,5)6/h13H,7-8H2,1-6H3
InChIKeyCZUFFMBAWKKWJG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate

tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate (PubChem CID 19916832) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
PubChem CID19916832
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-10(2,3)12(7-8-13)9(14)15-11(4,5)6/h13H,7-8H2,1-6H3
InChIKeyCZUFFMBAWKKWJG-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate (CID 19916832) is tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
The InChIKey is CZUFFMBAWKKWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-10(2,3)12(7-8-13)9(14)15-11(4,5)6/h13H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate?
tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 19916832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).