2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide

C11H17NO2 — CID 144733598

IUPAC2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide
SMILESC=C/C=C\C(=C)N(C)C(=O)COCC
InChIInChI=1S/C11H17NO2/c1-5-7-8-10(3)12(4)11(13)9-14-6-2/h5,7-8H,1,3,6,9H2,2,4H3/b8-7-
InChIKeyFVENGVKTIZKVLI-FPLPWBNLSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds6

About 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide

2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide (PubChem CID 144733598) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide
PubChem CID144733598
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide
SMILESC=C/C=C\C(=C)N(C)C(=O)COCC
InChIInChI=1S/C11H17NO2/c1-5-7-8-10(3)12(4)11(13)9-14-6-2/h5,7-8H,1,3,6,9H2,2,4H3/b8-7-
InChIKeyFVENGVKTIZKVLI-FPLPWBNLSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide?
The IUPAC name of 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide (CID 144733598) is 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide?
The canonical SMILES for 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide is C=C/C=C\C(=C)N(C)C(=O)COCC.
What is the InChIKey of 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide?
The InChIKey is FVENGVKTIZKVLI-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-7-8-10(3)12(4)11(13)9-14-6-2/h5,7-8H,1,3,6,9H2,2,4H3/b8-7-.
What are the key properties of 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide?
2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide has a molecular weight of 195.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylacetamide is sourced from PubChem (CID 144733598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).