(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide

C17H16N2O4 — CID 733997

IUPAC(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1O
InChIInChI=1S/C17H16N2O4/c1-2-22-16-9-12(5-6-15(16)20)8-13(10-18)17(21)19-11-14-4-3-7-23-14/h3-9,20H,2,11H2,1H3,(H,19,21)/b13-8+
InChIKeyARCIALMKPIGEIV-MDWZMJQESA-N
MW312.33 g/mol
LogP2.61
Rot. Bonds6

About (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide

(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 733997) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID733997
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1O
InChIInChI=1S/C17H16N2O4/c1-2-22-16-9-12(5-6-15(16)20)8-13(10-18)17(21)19-11-14-4-3-7-23-14/h3-9,20H,2,11H2,1H3,(H,19,21)/b13-8+
InChIKeyARCIALMKPIGEIV-MDWZMJQESA-N
XLogP2.61
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 733997) is (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide is CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1O.
What is the InChIKey of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is ARCIALMKPIGEIV-MDWZMJQESA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-22-16-9-12(5-6-15(16)20)8-13(10-18)17(21)19-11-14-4-3-7-23-14/h3-9,20H,2,11H2,1H3,(H,19,21)/b13-8+.
What are the key properties of (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 312.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 733997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).