4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide

C11H18N2O3 — CID 55207999

IUPAC4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
SMILESCCN(CCO)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C11H18N2O3/c1-2-13(5-6-14)10(15)11(9-12)3-7-16-8-4-11/h14H,2-8H2,1H3
InChIKeyXKXYBMLCFYFWIV-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.15
Rot. Bonds4

About 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide

4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide (PubChem CID 55207999) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
PubChem CID55207999
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
SMILESCCN(CCO)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C11H18N2O3/c1-2-13(5-6-14)10(15)11(9-12)3-7-16-8-4-11/h14H,2-8H2,1H3
InChIKeyXKXYBMLCFYFWIV-UHFFFAOYSA-N
XLogP0.15
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide 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 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide (CID 55207999) is 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide is CCN(CCO)C(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide?
The InChIKey is XKXYBMLCFYFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-13(5-6-14)10(15)11(9-12)3-7-16-8-4-11/h14H,2-8H2,1H3.
What are the key properties of 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide?
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide is sourced from PubChem (CID 55207999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).