ethyl N-(2-ethylhexyl)carbamate

C11H23NO2 — CID 2931191

IUPACethyl N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-7-8-10(5-2)9-12-11(13)14-6-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyIZQLXUAFAGUBOC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds7

About ethyl N-(2-ethylhexyl)carbamate

ethyl N-(2-ethylhexyl)carbamate (PubChem CID 2931191) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl N-(2-ethylhexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-ethylhexyl)carbamate
PubChem CID2931191
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OCC
InChIInChI=1S/C11H23NO2/c1-4-7-8-10(5-2)9-12-11(13)14-6-3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyIZQLXUAFAGUBOC-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-ethylhexyl)carbamate?
The IUPAC name of ethyl N-(2-ethylhexyl)carbamate (CID 2931191) is ethyl N-(2-ethylhexyl)carbamate.
What is the SMILES notation for ethyl N-(2-ethylhexyl)carbamate?
The canonical SMILES for ethyl N-(2-ethylhexyl)carbamate is CCCCC(CC)CNC(=O)OCC.
What is the InChIKey of ethyl N-(2-ethylhexyl)carbamate?
The InChIKey is IZQLXUAFAGUBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-8-10(5-2)9-12-11(13)14-6-3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of ethyl N-(2-ethylhexyl)carbamate?
ethyl N-(2-ethylhexyl)carbamate has a molecular weight of 201.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-ethylhexyl)carbamate is sourced from PubChem (CID 2931191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).