ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide

C13H21NO2 — CID 144830314

IUPACethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide
SMILESC=C.C=C(C)/C=C(\C(=C)OC)C(=O)NCC
InChIInChI=1S/C11H17NO2.C2H4/c1-6-12-11(13)10(7-8(2)3)9(4)14-5;1-2/h7H,2,4,6H2,1,3,5H3,(H,12,13);1-2H2/b10-7+;
InChIKeyNVORQTQGLGJBII-HCUGZAAXSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds5

About ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide

ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide (PubChem CID 144830314) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Nameethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide
PubChem CID144830314
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide
SMILESC=C.C=C(C)/C=C(\C(=C)OC)C(=O)NCC
InChIInChI=1S/C11H17NO2.C2H4/c1-6-12-11(13)10(7-8(2)3)9(4)14-5;1-2/h7H,2,4,6H2,1,3,5H3,(H,12,13);1-2H2/b10-7+;
InChIKeyNVORQTQGLGJBII-HCUGZAAXSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
The IUPAC name of ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide (CID 144830314) is ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide.
What is the SMILES notation for ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
The canonical SMILES for ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide is C=C.C=C(C)/C=C(\C(=C)OC)C(=O)NCC.
What is the InChIKey of ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
The InChIKey is NVORQTQGLGJBII-HCUGZAAXSA-N. The full InChI is InChI=1S/C11H17NO2.C2H4/c1-6-12-11(13)10(7-8(2)3)9(4)14-5;1-2/h7H,2,4,6H2,1,3,5H3,(H,12,13);1-2H2/b10-7+;.
What are the key properties of ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide has a molecular weight of 223.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide is sourced from PubChem (CID 144830314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).