4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide

C13H22N2O3 — CID 79377811

IUPAC4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C13H22N2O3/c1-4-15(10-12(2,3)17)11(16)13(9-14)5-7-18-8-6-13/h17H,4-8,10H2,1-3H3
InChIKeyGKLPYJUPVDQTHU-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.93
Rot. Bonds4

About 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide

4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide (PubChem CID 79377811) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide
PubChem CID79377811
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1(C#N)CCOCC1
InChIInChI=1S/C13H22N2O3/c1-4-15(10-12(2,3)17)11(16)13(9-14)5-7-18-8-6-13/h17H,4-8,10H2,1-3H3
InChIKeyGKLPYJUPVDQTHU-UHFFFAOYSA-N
XLogP0.93
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 79487122
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 55207999
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 80598252
1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598016
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carboxamide
CID 79378279
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
CID 55126193

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide (CID 79377811) is 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide is CCN(CC(C)(C)O)C(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide?
The InChIKey is GKLPYJUPVDQTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-15(10-12(2,3)17)11(16)13(9-14)5-7-18-8-6-13/h17H,4-8,10H2,1-3H3.
What are the key properties of 4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide?
4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.93, 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-hydroxy-2-methylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 79377811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).