2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide

C18H26FNO3 — CID 134333490

IUPAC2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide
SMILESC=C/C(F)=C\C(=C\OCC(=O)NCC/C=C\C(=C/C)OC)CC
InChIInChI=1S/C18H26FNO3/c1-5-15(12-16(19)6-2)13-23-14-18(21)20-11-9-8-10-17(7-3)22-4/h6-8,10,12-13H,2,5,9,11,14H2,1,3-4H3,(H,20,21)/b10-8-,15-13+,16-12+,17-7+
InChIKeyACCNMRZVQGHORV-WQPZNZBVSA-N
MW323.41 g/mol
LogP3.95
Rot. Bonds11

About 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide

2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide (PubChem CID 134333490) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide.

Molecular Properties

Compound Name2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide
PubChem CID134333490
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide
SMILESC=C/C(F)=C\C(=C\OCC(=O)NCC/C=C\C(=C/C)OC)CC
InChIInChI=1S/C18H26FNO3/c1-5-15(12-16(19)6-2)13-23-14-18(21)20-11-9-8-10-17(7-3)22-4/h6-8,10,12-13H,2,5,9,11,14H2,1,3-4H3,(H,20,21)/b10-8-,15-13+,16-12+,17-7+
InChIKeyACCNMRZVQGHORV-WQPZNZBVSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorocyclohexa-1,5-dien-1-yl)methoxy]-N-hept-6-enylacetamide
CID 143299298
2-[(1E,3Z)-4-ethylhexa-1,3,5-trienoxy]-N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]butanamide
CID 144509285
2-[(3Z,5E)-5-methoxyocta-3,5,7-trienoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 167066621
2-[(2E,4E,6Z)-5-fluoro-6-methylocta-2,4,6-trien-3-yl]oxy-N-methylacetamide
CID 142528171
N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide
CID 143947853
bromozinc(1+);N-butyl-2-(2,5-dimethylbenzene-4-id-1-yl)oxyacetamide
CID 57775679
bromozinc(1+);2-(2,5-dimethylbenzene-4-id-1-yl)oxy-N-ethylacetamide
CID 57775701
5-cyclohexa-1,3-dien-1-yl-N-propyl-1,4-dioxine-2-carboxamide
CID 68726884
(3E,4Z)-3-ethylidene-2-[(3E)-hexa-1,3,5-trien-3-yl]oxy-N-methylhepta-4,6-dienamide
CID 129312276
2-[(3E,5Z)-4-methylhepta-1,3,5-trien-3-yl]oxy-N-propylacetamide;2-methylpropane
CID 142820587
N-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]acetamide
CID 143185233
ethane;2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide;prop-1-yne
CID 144509298

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide?
The IUPAC name of 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide (CID 134333490) is 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide.
What is the SMILES notation for 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide?
The canonical SMILES for 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide is C=C/C(F)=C\C(=C\OCC(=O)NCC/C=C\C(=C/C)OC)CC.
What is the InChIKey of 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide?
The InChIKey is ACCNMRZVQGHORV-WQPZNZBVSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-5-15(12-16(19)6-2)13-23-14-18(21)20-11-9-8-10-17(7-3)22-4/h6-8,10,12-13H,2,5,9,11,14H2,1,3-4H3,(H,20,21)/b10-8-,15-13+,16-12+,17-7+.
What are the key properties of 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide?
2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide has a molecular weight of 323.41 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-2-ethyl-4-fluorohexa-1,3,5-trienoxy]-N-[(3Z,5E)-5-methoxyhepta-3,5-dienyl]acetamide is sourced from PubChem (CID 134333490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).