2-ethoxy-N-ethyl-N-prop-2-enylacetamide

C9H17NO2 — CID 78983317

IUPAC2-ethoxy-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)COCC
InChIInChI=1S/C9H17NO2/c1-4-7-10(5-2)9(11)8-12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyXDLHLKLZAJNMLE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.06
Rot. Bonds6

About 2-ethoxy-N-ethyl-N-prop-2-enylacetamide

2-ethoxy-N-ethyl-N-prop-2-enylacetamide (PubChem CID 78983317) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-prop-2-enylacetamide
PubChem CID78983317
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethoxy-N-ethyl-N-prop-2-enylacetamide
SMILESC=CCN(CC)C(=O)COCC
InChIInChI=1S/C9H17NO2/c1-4-7-10(5-2)9(11)8-12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyXDLHLKLZAJNMLE-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-ethyl-N-prop-2-enylacetamide 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 2-ethoxy-N-ethyl-N-prop-2-enylacetamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-prop-2-enylacetamide (CID 78983317) is 2-ethoxy-N-ethyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-prop-2-enylacetamide is C=CCN(CC)C(=O)COCC.
What is the InChIKey of 2-ethoxy-N-ethyl-N-prop-2-enylacetamide?
The InChIKey is XDLHLKLZAJNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-10(5-2)9(11)8-12-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of 2-ethoxy-N-ethyl-N-prop-2-enylacetamide?
2-ethoxy-N-ethyl-N-prop-2-enylacetamide has a molecular weight of 171.24 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-prop-2-enylacetamide is sourced from PubChem (CID 78983317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).