N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide

C11H17NO2 — CID 143852733

IUPACN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
SMILESC=C/C=C\C(=C/C)CNC(=O)COC
InChIInChI=1S/C11H17NO2/c1-4-6-7-10(5-2)8-12-11(13)9-14-3/h4-7H,1,8-9H2,2-3H3,(H,12,13)/b7-6-,10-5+
InChIKeyWOBJNEBXOXGYJG-JQEGGOPCSA-N
MW195.26 g/mol
LogP1.44
Rot. Bonds6

About N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide (PubChem CID 143852733) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
PubChem CID143852733
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
SMILESC=C/C=C\C(=C/C)CNC(=O)COC
InChIInChI=1S/C11H17NO2/c1-4-6-7-10(5-2)8-12-11(13)9-14-3/h4-7H,1,8-9H2,2-3H3,(H,12,13)/b7-6-,10-5+
InChIKeyWOBJNEBXOXGYJG-JQEGGOPCSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
CID 134817736
N-but-3-enyl-2-propoxyacetamide
CID 17780693
3-amino-N-[(Z,2E)-2-ethylidenepent-3-enyl]-2,2-dimethoxypropanamide
CID 88929568
1,9a-Dihydro-4,1-benzoxazepin-2-one
CID 91035501
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide
CID 123497793
2-methoxy-N-(3-methylidenepent-4-enyl)acetamide
CID 123506969
1-[4-[(E)-2-ethenyl-4-(methylamino)but-2-enyl]piperazin-1-yl]-2-methoxyethanone
CID 135295310
N-[(E)-4,4-dimethylpent-2-enyl]-2-methoxyacetamide
CID 138502815
N-[(E)-4,4-dimethylhex-2-enyl]-2-methoxyacetamide
CID 138502884
(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide
CID 142170277
(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide
CID 142170281

Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide?
The IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide (CID 143852733) is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide is C=C/C=C\C(=C/C)CNC(=O)COC.
What is the InChIKey of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide?
The InChIKey is WOBJNEBXOXGYJG-JQEGGOPCSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-7-10(5-2)8-12-11(13)9-14-3/h4-7H,1,8-9H2,2-3H3,(H,12,13)/b7-6-,10-5+.
What are the key properties of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide?
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide has a molecular weight of 195.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide is sourced from PubChem (CID 143852733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).