2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide

C10H17NO2 — CID 177046936

IUPAC2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide
SMILESC/C=C\C=C(/C)CNC(=O)COC
InChIInChI=1S/C10H17NO2/c1-4-5-6-9(2)7-11-10(12)8-13-3/h4-6H,7-8H2,1-3H3,(H,11,12)/b5-4-,9-6+
InChIKeyBNYGXVFYKJMLER-KMOPYBJPSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds5

About 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide

2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide (PubChem CID 177046936) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide
PubChem CID177046936
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide
SMILESC/C=C\C=C(/C)CNC(=O)COC
InChIInChI=1S/C10H17NO2/c1-4-5-6-9(2)7-11-10(12)8-13-3/h4-6H,7-8H2,1-3H3,(H,11,12)/b5-4-,9-6+
InChIKeyBNYGXVFYKJMLER-KMOPYBJPSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
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-butyl-2-[(1E,3E)-4,5-difluorohexa-1,3,5-trienoxy]acetamide
CID 170084495
N-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-2-methoxyacetamide
CID 134817736
N-Allyl-2-methoxy-acetamide
CID 11355489
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
N-but-2-enyl-2-methoxyacetamide
CID 72618261
2-methoxy-N-(2-methylprop-2-enyl)acetamide
CID 114618364
2-methoxy-N-(3-methylpent-3-en-2-yl)acetamide
CID 123194018
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
2-methoxy-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]acetamide
CID 143338086

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide?
The IUPAC name of 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide (CID 177046936) is 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide is C/C=C\C=C(/C)CNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide?
The InChIKey is BNYGXVFYKJMLER-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-6-9(2)7-11-10(12)8-13-3/h4-6H,7-8H2,1-3H3,(H,11,12)/b5-4-,9-6+.
What are the key properties of 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide?
2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]acetamide is sourced from PubChem (CID 177046936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).