N-(2-ethylhexyl)oxirane-2-carboxamide

C11H21NO2 — CID 87397630

IUPACN-(2-ethylhexyl)oxirane-2-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CO1
InChIInChI=1S/C11H21NO2/c1-3-5-6-9(4-2)7-12-11(13)10-8-14-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyQBYUYHAQMINIJR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds7

About N-(2-ethylhexyl)oxirane-2-carboxamide

N-(2-ethylhexyl)oxirane-2-carboxamide (PubChem CID 87397630) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-ethylhexyl)oxirane-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)oxirane-2-carboxamide
PubChem CID87397630
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-ethylhexyl)oxirane-2-carboxamide
SMILESCCCCC(CC)CNC(=O)C1CO1
InChIInChI=1S/C11H21NO2/c1-3-5-6-9(4-2)7-12-11(13)10-8-14-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyQBYUYHAQMINIJR-UHFFFAOYSA-N
XLogP1.72
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)oxirane-2-carboxamide?
The IUPAC name of N-(2-ethylhexyl)oxirane-2-carboxamide (CID 87397630) is N-(2-ethylhexyl)oxirane-2-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)oxirane-2-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)oxirane-2-carboxamide is CCCCC(CC)CNC(=O)C1CO1.
What is the InChIKey of N-(2-ethylhexyl)oxirane-2-carboxamide?
The InChIKey is QBYUYHAQMINIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-9(4-2)7-12-11(13)10-8-14-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-ethylhexyl)oxirane-2-carboxamide?
N-(2-ethylhexyl)oxirane-2-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)oxirane-2-carboxamide is sourced from PubChem (CID 87397630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).