(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide

C18H16N2O4 — CID 869194

IUPAC(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O
InChIInChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
InChIKeyKBVWUGVKEAPINO-LCYFTJDESA-N
MW324.34 g/mol
LogP3.04
Rot. Bonds5

About (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 869194) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID869194
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O
InChIInChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-
InChIKeyKBVWUGVKEAPINO-LCYFTJDESA-N
XLogP3.04
TPSA102.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 869194) is (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O.
What is the InChIKey of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KBVWUGVKEAPINO-LCYFTJDESA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-24-17-10-12(3-8-16(17)22)9-13(11-19)18(23)20-14-4-6-15(21)7-5-14/h3-10,21-22H,2H2,1H3,(H,20,23)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 324.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 869194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).