ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide

C14H25NO2 — CID 144763082

IUPACethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NCCOCCC.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-4-7-11(6-3)12(14)13-8-10-15-9-5-2;1-2/h4,6-7H,1,3,5,8-10H2,2H3,(H,13,14);1-2H3/b11-7+;
InChIKeyGJDSQLGFHNNERX-RVDQCCQOSA-N
MW239.36 g/mol
LogP2.85
Rot. Bonds8

About ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide

ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide (PubChem CID 144763082) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide
PubChem CID144763082
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NCCOCCC.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-4-7-11(6-3)12(14)13-8-10-15-9-5-2;1-2/h4,6-7H,1,3,5,8-10H2,2H3,(H,13,14);1-2H3/b11-7+;
InChIKeyGJDSQLGFHNNERX-RVDQCCQOSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

N-(2-Ethoxyethyl)-2-methylprop-2-enamide
CID 13955249
N-(2-butoxyethyl)-2-methylprop-2-enamide
CID 18366428
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide
CID 23396054
1-(2-ethoxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 57861440
N-tert-butyl-1-(2-ethoxyethyl)-2-oxopyridine-4-carboxamide
CID 57861819
(E)-N-[2-(2-aminoethoxy)ethyl]but-2-enamide
CID 58348964
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975
2-methyl-N-(2-propoxyethyl)prop-2-enamide
CID 58779506
1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide
CID 70972150
1-(2-ethoxyethyl)-N-ethyl-2-oxopyridine-4-carboxamide
CID 70972228
1-(2-ethoxyethyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 70972243

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide?
The IUPAC name of ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide (CID 144763082) is ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide?
The canonical SMILES for ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide is C=C/C=C(\C=C)C(=O)NCCOCCC.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide?
The InChIKey is GJDSQLGFHNNERX-RVDQCCQOSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-4-7-11(6-3)12(14)13-8-10-15-9-5-2;1-2/h4,6-7H,1,3,5,8-10H2,2H3,(H,13,14);1-2H3/b11-7+;.
What are the key properties of ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide?
ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide has a molecular weight of 239.36 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N-(2-propoxyethyl)penta-2,4-dienamide is sourced from PubChem (CID 144763082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).