2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide

C14H24N2O2 — CID 91111467

IUPAC2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
SMILESC=CC(=CCC)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-3-6-13(4-2)14(17)15-7-5-8-16-9-11-18-12-10-16/h4,6H,2-3,5,7-12H2,1H3,(H,15,17)
InChIKeyDNEJGJIMWGALBD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.35
Rot. Bonds7

About 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide

2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide (PubChem CID 91111467) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide.

Molecular Properties

Compound Name2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
PubChem CID91111467
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
SMILESC=CC(=CCC)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-3-6-13(4-2)14(17)15-7-5-8-16-9-11-18-12-10-16/h4,6H,2-3,5,7-12H2,1H3,(H,15,17)
InChIKeyDNEJGJIMWGALBD-UHFFFAOYSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
The IUPAC name of 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide (CID 91111467) is 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide.
What is the SMILES notation for 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
The canonical SMILES for 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide is C=CC(=CCC)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
The InChIKey is DNEJGJIMWGALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-6-13(4-2)14(17)15-7-5-8-16-9-11-18-12-10-16/h4,6H,2-3,5,7-12H2,1H3,(H,15,17).
What are the key properties of 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide is sourced from PubChem (CID 91111467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).