2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide

C12H19NO2 — CID 135045294

IUPAC2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(CC)C(C)=O
InChIInChI=1S/C12H19NO2/c1-5-8-13(9-6-2)12(15)11(7-3)10(4)14/h5-6,11H,1-2,7-9H2,3-4H3
InChIKeyHMWOHIAGEAOQAL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds7

About 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide

2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide (PubChem CID 135045294) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide
PubChem CID135045294
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide
SMILESC=CCN(CC=C)C(=O)C(CC)C(C)=O
InChIInChI=1S/C12H19NO2/c1-5-8-13(9-6-2)12(15)11(7-3)10(4)14/h5-6,11H,1-2,7-9H2,3-4H3
InChIKeyHMWOHIAGEAOQAL-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide 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-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide?
The IUPAC name of 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide (CID 135045294) is 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide.
What is the SMILES notation for 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide?
The canonical SMILES for 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide is C=CCN(CC=C)C(=O)C(CC)C(C)=O.
What is the InChIKey of 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide?
The InChIKey is HMWOHIAGEAOQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-8-13(9-6-2)12(15)11(7-3)10(4)14/h5-6,11H,1-2,7-9H2,3-4H3.
What are the key properties of 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide?
2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N,N-bis(prop-2-enyl)butanamide is sourced from PubChem (CID 135045294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).