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

C17H14N2O3 — CID 775089

IUPAC(2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)cc1
InChIInChI=1S/C17H14N2O3/c1-21-15-9-7-14(8-10-15)19-17(20)13(12-18)4-2-5-16-6-3-11-22-16/h2-11H,1H3,(H,19,20)/b5-2+,13-4+
InChIKeyPBETYHAXCJUVLE-OKIZLYGUSA-N
MW294.31 g/mol
LogP3.39
Rot. Bonds5

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

(2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide (PubChem CID 775089) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide
PubChem CID775089
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)cc1
InChIInChI=1S/C17H14N2O3/c1-21-15-9-7-14(8-10-15)19-17(20)13(12-18)4-2-5-16-6-3-11-22-16/h2-11H,1H3,(H,19,20)/b5-2+,13-4+
InChIKeyPBETYHAXCJUVLE-OKIZLYGUSA-N
XLogP3.39
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide (CID 775089) is (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide is COc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccco2)cc1.
What is the InChIKey of (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide?
The InChIKey is PBETYHAXCJUVLE-OKIZLYGUSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-21-15-9-7-14(8-10-15)19-17(20)13(12-18)4-2-5-16-6-3-11-22-16/h2-11H,1H3,(H,19,20)/b5-2+,13-4+.
What are the key properties of (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide?
(2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide has a molecular weight of 294.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-5-(furan-2-yl)-N-(4-methoxyphenyl)penta-2,4-dienamide is sourced from PubChem (CID 775089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).