N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide

C12H18FNO3 — CID 143947853

IUPACN-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide
SMILESC=C/C(CNC(=O)COC)=C(/OCC)C(=C)F
InChIInChI=1S/C12H18FNO3/c1-5-10(7-14-11(15)8-16-4)12(9(3)13)17-6-2/h5H,1,3,6-8H2,2,4H3,(H,14,15)/b12-10-
InChIKeyNEZUUPDATPJCMN-BENRWUELSA-N
MW243.28 g/mol
LogP1.71
Rot. Bonds8

About N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide

N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide (PubChem CID 143947853) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide
PubChem CID143947853
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC NameN-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide
SMILESC=C/C(CNC(=O)COC)=C(/OCC)C(=C)F
InChIInChI=1S/C12H18FNO3/c1-5-10(7-14-11(15)8-16-4)12(9(3)13)17-6-2/h5H,1,3,6-8H2,2,4H3,(H,14,15)/b12-10-
InChIKeyNEZUUPDATPJCMN-BENRWUELSA-N
XLogP1.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide?
The IUPAC name of N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide (CID 143947853) is N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide is C=C/C(CNC(=O)COC)=C(/OCC)C(=C)F.
What is the InChIKey of N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide?
The InChIKey is NEZUUPDATPJCMN-BENRWUELSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-5-10(7-14-11(15)8-16-4)12(9(3)13)17-6-2/h5H,1,3,6-8H2,2,4H3,(H,14,15)/b12-10-.
What are the key properties of N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide?
N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide has a molecular weight of 243.28 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dienyl]-2-methoxyacetamide is sourced from PubChem (CID 143947853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).