2-ethylhexyl N-propan-2-ylcarbamate

C12H25NO2 — CID 20500804

IUPAC2-ethylhexyl N-propan-2-ylcarbamate
SMILESCCCCC(CC)COC(=O)NC(C)C
InChIInChI=1S/C12H25NO2/c1-5-7-8-11(6-2)9-15-12(14)13-10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyUEQWUCNIFRFGSB-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds7

About 2-ethylhexyl N-propan-2-ylcarbamate

2-ethylhexyl N-propan-2-ylcarbamate (PubChem CID 20500804) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethylhexyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-ethylhexyl N-propan-2-ylcarbamate
PubChem CID20500804
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethylhexyl N-propan-2-ylcarbamate
SMILESCCCCC(CC)COC(=O)NC(C)C
InChIInChI=1S/C12H25NO2/c1-5-7-8-11(6-2)9-15-12(14)13-10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14)
InChIKeyUEQWUCNIFRFGSB-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethylhexyl N-propan-2-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-propan-2-ylcarbamate?
The IUPAC name of 2-ethylhexyl N-propan-2-ylcarbamate (CID 20500804) is 2-ethylhexyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-ethylhexyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-ethylhexyl N-propan-2-ylcarbamate is CCCCC(CC)COC(=O)NC(C)C.
What is the InChIKey of 2-ethylhexyl N-propan-2-ylcarbamate?
The InChIKey is UEQWUCNIFRFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-8-11(6-2)9-15-12(14)13-10(3)4/h10-11H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-ethylhexyl N-propan-2-ylcarbamate?
2-ethylhexyl N-propan-2-ylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-propan-2-ylcarbamate is sourced from PubChem (CID 20500804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).