N'-(2-ethylhexyl)-N-prop-2-enyloxamide

C13H24N2O2 — CID 2917280

IUPACN'-(2-ethylhexyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(CC)CCCC
InChIInChI=1S/C13H24N2O2/c1-4-7-8-11(6-3)10-15-13(17)12(16)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)(H,15,17)
InChIKeyHTMXLGVOQFWPNT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.62
Rot. Bonds8

About N'-(2-ethylhexyl)-N-prop-2-enyloxamide

N'-(2-ethylhexyl)-N-prop-2-enyloxamide (PubChem CID 2917280) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-(2-ethylhexyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(2-ethylhexyl)-N-prop-2-enyloxamide
PubChem CID2917280
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN'-(2-ethylhexyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(CC)CCCC
InChIInChI=1S/C13H24N2O2/c1-4-7-8-11(6-3)10-15-13(17)12(16)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)(H,15,17)
InChIKeyHTMXLGVOQFWPNT-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-ethylhexyl)-N-prop-2-enyloxamide 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 N'-(2-ethylhexyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(2-ethylhexyl)-N-prop-2-enyloxamide (CID 2917280) is N'-(2-ethylhexyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(2-ethylhexyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(2-ethylhexyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC(CC)CCCC.
What is the InChIKey of N'-(2-ethylhexyl)-N-prop-2-enyloxamide?
The InChIKey is HTMXLGVOQFWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-7-8-11(6-3)10-15-13(17)12(16)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-ethylhexyl)-N-prop-2-enyloxamide?
N'-(2-ethylhexyl)-N-prop-2-enyloxamide has a molecular weight of 240.35 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylhexyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 2917280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).