N'-hex-3-enyl-N-propyloxamide

C11H20N2O2 — CID 123664727

IUPACN'-hex-3-enyl-N-propyloxamide
SMILESCCC=CCCNC(=O)C(=O)NCCC
InChIInChI=1S/C11H20N2O2/c1-3-5-6-7-9-13-11(15)10(14)12-8-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZEYCYURRFGQQRS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.99
Rot. Bonds6

About N'-hex-3-enyl-N-propyloxamide

N'-hex-3-enyl-N-propyloxamide (PubChem CID 123664727) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N'-hex-3-enyl-N-propyloxamide.

Molecular Properties

Compound NameN'-hex-3-enyl-N-propyloxamide
PubChem CID123664727
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN'-hex-3-enyl-N-propyloxamide
SMILESCCC=CCCNC(=O)C(=O)NCCC
InChIInChI=1S/C11H20N2O2/c1-3-5-6-7-9-13-11(15)10(14)12-8-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZEYCYURRFGQQRS-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)pent-3-enamide
CID 2802546
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266736
N'-[(2Z)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide
CID 59266737
N'-(3,7-dimethylocta-2,6-dienyl)-N-ethyloxamide
CID 72265550
(4E,10E,16E)-1,7,13-triazacyclooctadeca-4,10,16-triene-2,8,14-trione
CID 102508681
N-methyl-2-(6-oxo-2,3-dihydropyridin-1-yl)acetamide
CID 176432698
N-[2-(methylamino)-2-oxoethyl]pent-4-enamide
CID 176433233
N-[(E)-pent-3-enyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 115628435
2-[[(E)-pent-3-enyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 116034025
2-[[(E)-pent-3-enyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153545
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methyl-2-oxoacetamide
CID 128311929
N-allyl-N'-[3-(dimethylamino)propyl]ethanediamide
CID 2206810

Frequently Asked Questions

What is the IUPAC name of N'-hex-3-enyl-N-propyloxamide?
The IUPAC name of N'-hex-3-enyl-N-propyloxamide (CID 123664727) is N'-hex-3-enyl-N-propyloxamide.
What is the SMILES notation for N'-hex-3-enyl-N-propyloxamide?
The canonical SMILES for N'-hex-3-enyl-N-propyloxamide is CCC=CCCNC(=O)C(=O)NCCC.
What is the InChIKey of N'-hex-3-enyl-N-propyloxamide?
The InChIKey is ZEYCYURRFGQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-6-7-9-13-11(15)10(14)12-8-4-2/h5-6H,3-4,7-9H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-hex-3-enyl-N-propyloxamide?
N'-hex-3-enyl-N-propyloxamide has a molecular weight of 212.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hex-3-enyl-N-propyloxamide is sourced from PubChem (CID 123664727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).