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Tert-butyl N-(2-ethoxycyclohexyl)carbamate

C13H25NO3 — CID 59496706

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-(2-ethoxycyclohexyl)carbamate
SMILESCCOC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-5-16-11-9-7-6-8-10(11)14-12(15)17-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyYBRBCPIZPAPOEQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.86
Rot. Bonds3

About Tert-butyl N-(2-ethoxycyclohexyl)carbamate

Tert-butyl N-(2-ethoxycyclohexyl)carbamate (PubChem CID 59496706) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-(2-ethoxycyclohexyl)carbamate.

Molecular Properties

Compound NameTert-butyl N-(2-ethoxycyclohexyl)carbamate
PubChem CID59496706
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-(2-ethoxycyclohexyl)carbamate
SMILESCCOC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-5-16-11-9-7-6-8-10(11)14-12(15)17-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyYBRBCPIZPAPOEQ-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-(2-ethoxycyclohexyl)carbamate?
The IUPAC name of Tert-butyl N-(2-ethoxycyclohexyl)carbamate (CID 59496706) is tert-butyl N-(2-ethoxycyclohexyl)carbamate.
What is the SMILES notation for Tert-butyl N-(2-ethoxycyclohexyl)carbamate?
The canonical SMILES for Tert-butyl N-(2-ethoxycyclohexyl)carbamate is CCOC1CCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of Tert-butyl N-(2-ethoxycyclohexyl)carbamate?
The InChIKey is YBRBCPIZPAPOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-16-11-9-7-6-8-10(11)14-12(15)17-13(2,3)4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of Tert-butyl N-(2-ethoxycyclohexyl)carbamate?
Tert-butyl N-(2-ethoxycyclohexyl)carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-(2-ethoxycyclohexyl)carbamate is sourced from PubChem (CID 59496706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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