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

C11H17NO2 — CID 144830315

IUPAC(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide
SMILESC=C(C)/C=C(\C(=C)OC)C(=O)NCC
InChIInChI=1S/C11H17NO2/c1-6-12-11(13)10(7-8(2)3)9(4)14-5/h7H,2,4,6H2,1,3,5H3,(H,12,13)/b10-7+
InChIKeyFRLPISPNRWSJFF-JXMROGBWSA-N
MW195.26 g/mol
LogP1.79
Rot. Bonds5

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

(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide (PubChem CID 144830315) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide
PubChem CID144830315
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide
SMILESC=C(C)/C=C(\C(=C)OC)C(=O)NCC
InChIInChI=1S/C11H17NO2/c1-6-12-11(13)10(7-8(2)3)9(4)14-5/h7H,2,4,6H2,1,3,5H3,(H,12,13)/b10-7+
InChIKeyFRLPISPNRWSJFF-JXMROGBWSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide (CID 144830315) is (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide is C=C(C)/C=C(\C(=C)OC)C(=O)NCC.
What is the InChIKey of (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
The InChIKey is FRLPISPNRWSJFF-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-12-11(13)10(7-8(2)3)9(4)14-5/h7H,2,4,6H2,1,3,5H3,(H,12,13)/b10-7+.
What are the key properties of (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide?
(2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide has a molecular weight of 195.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-(1-methoxyethenyl)-4-methylpenta-2,4-dienamide is sourced from PubChem (CID 144830315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).