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

C17H33NO2 — CID 164666830

IUPACtert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-16(2,3)18(15(19)20-17(4,5)6)13-12-14-10-8-7-9-11-14/h14H,7-13H2,1-6H3
InChIKeyQBTIXOBOAFXOFH-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.99
Rot. Bonds3

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

tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate (PubChem CID 164666830) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate
PubChem CID164666830
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nametert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCC1CCCCC1)C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-16(2,3)18(15(19)20-17(4,5)6)13-12-14-10-8-7-9-11-14/h14H,7-13H2,1-6H3
InChIKeyQBTIXOBOAFXOFH-UHFFFAOYSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate (CID 164666830) is tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate is CC(C)(C)OC(=O)N(CCC1CCCCC1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate?
The InChIKey is QBTIXOBOAFXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-16(2,3)18(15(19)20-17(4,5)6)13-12-14-10-8-7-9-11-14/h14H,7-13H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate?
tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate has a molecular weight of 283.46 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-(2-cyclohexylethyl)carbamate is sourced from PubChem (CID 164666830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).