(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide

C18H16N2O3 — CID 958348

IUPAC(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)c1
InChIInChI=1S/C18H16N2O3/c1-2-22-17-9-4-7-15(12-17)20-18(21)14(13-19)6-3-8-16-10-5-11-23-16/h3-12H,2H2,1H3,(H,20,21)/b8-3+,14-6+
InChIKeyLTZSCDXWCMNYPT-UHXCZAMRSA-N
MW308.34 g/mol
LogP3.78
Rot. Bonds6

About (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide

(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide (PubChem CID 958348) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide
PubChem CID958348
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)c1
InChIInChI=1S/C18H16N2O3/c1-2-22-17-9-4-7-15(12-17)20-18(21)14(13-19)6-3-8-16-10-5-11-23-16/h3-12H,2H2,1H3,(H,20,21)/b8-3+,14-6+
InChIKeyLTZSCDXWCMNYPT-UHXCZAMRSA-N
XLogP3.78
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 877034
(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide
CID 6373548
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-thiophen-3-ylprop-2-enamide
CID 40553008
methyl 4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2208505
4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2208157
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 2208562
(Z)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]-N-(3-ethoxyphenyl)prop-2-enamide
CID 126029229
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126019855
2-cyano-3-(4-ethoxyphenyl)-N-(3-propan-2-yloxyphenyl)prop-2-enamide
CID 165344868
2-cyano-N-(3-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-enamide
CID 71950270
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682
(E)-2-cyano-N-(3-ethoxyphenyl)-3-(1-propan-2-ylpyrrol-3-yl)prop-2-enamide
CID 50853751

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide (CID 958348) is (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide is CCOc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)c1.
What is the InChIKey of (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide?
The InChIKey is LTZSCDXWCMNYPT-UHXCZAMRSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-22-17-9-4-7-15(12-17)20-18(21)14(13-19)6-3-8-16-10-5-11-23-16/h3-12H,2H2,1H3,(H,20,21)/b8-3+,14-6+.
What are the key properties of (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide?
(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide has a molecular weight of 308.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 958348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).