4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide

C11H21NO3 — CID 115775753

IUPAC4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCO)C(=O)CCCOCC
InChIInChI=1S/C11H21NO3/c1-3-7-12(8-9-13)11(14)6-5-10-15-4-2/h3,13H,1,4-10H2,2H3
InChIKeyQPHLMHJQFAJBMP-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.81
Rot. Bonds9

About 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide

4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide (PubChem CID 115775753) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
PubChem CID115775753
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
SMILESC=CCN(CCO)C(=O)CCCOCC
InChIInChI=1S/C11H21NO3/c1-3-7-12(8-9-13)11(14)6-5-10-15-4-2/h3,13H,1,4-10H2,2H3
InChIKeyQPHLMHJQFAJBMP-UHFFFAOYSA-N
XLogP0.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775879
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112729241
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
N,N-bis(2-hydroxyethyl)hex-5-enamide
CID 58150290
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115775603

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide (CID 115775753) is 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide is C=CCN(CCO)C(=O)CCCOCC.
What is the InChIKey of 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
The InChIKey is QPHLMHJQFAJBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-7-12(8-9-13)11(14)6-5-10-15-4-2/h3,13H,1,4-10H2,2H3.
What are the key properties of 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide?
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide has a molecular weight of 215.29 g/mol, XLogP of 0.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 115775753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).