propyl N-(2-ethylhexyl)carbamate

C12H25NO2 — CID 91709547

IUPACpropyl N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OCCC
InChIInChI=1S/C12H25NO2/c1-4-7-8-11(6-3)10-13-12(14)15-9-5-2/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyXAAZXDDDODPYQX-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.34
Rot. Bonds8

About propyl N-(2-ethylhexyl)carbamate

propyl N-(2-ethylhexyl)carbamate (PubChem CID 91709547) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is propyl N-(2-ethylhexyl)carbamate.

Molecular Properties

Compound Namepropyl N-(2-ethylhexyl)carbamate
PubChem CID91709547
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namepropyl N-(2-ethylhexyl)carbamate
SMILESCCCCC(CC)CNC(=O)OCCC
InChIInChI=1S/C12H25NO2/c1-4-7-8-11(6-3)10-13-12(14)15-9-5-2/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyXAAZXDDDODPYQX-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of propyl N-(2-ethylhexyl)carbamate?
The IUPAC name of propyl N-(2-ethylhexyl)carbamate (CID 91709547) is propyl N-(2-ethylhexyl)carbamate.
What is the SMILES notation for propyl N-(2-ethylhexyl)carbamate?
The canonical SMILES for propyl N-(2-ethylhexyl)carbamate is CCCCC(CC)CNC(=O)OCCC.
What is the InChIKey of propyl N-(2-ethylhexyl)carbamate?
The InChIKey is XAAZXDDDODPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-8-11(6-3)10-13-12(14)15-9-5-2/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of propyl N-(2-ethylhexyl)carbamate?
propyl N-(2-ethylhexyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-ethylhexyl)carbamate is sourced from PubChem (CID 91709547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).