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

C17H14N2O4 — CID 725447

IUPAC(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
InChIKeyQFMIGYKAOSBQJF-WQLSENKSSA-N
MW310.31 g/mol
LogP2.65
Rot. Bonds4

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

(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 725447) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID725447
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-
InChIKeyQFMIGYKAOSBQJF-WQLSENKSSA-N
XLogP2.65
TPSA102.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.65
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'}

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Related Compounds

Avenanthramide B
CID 10087955
AG 494
CID 5328771
Avenanthramide E
CID 10245047
(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 729722
N-[4-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
CID 44450061
2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 2094747
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2394109
[1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6144705
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one
CID 1230203
Curcumin 5-8
CID 9321431
(E)-3-(3,4-dihydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 13559594
(E)-N-(3-Chloro-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-acrylamide
CID 45376337

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 725447) is (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O.
What is the InChIKey of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is QFMIGYKAOSBQJF-WQLSENKSSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-16-9-11(2-7-15(16)21)8-12(10-18)17(22)19-13-3-5-14(20)6-4-13/h2-9,20-21H,1H3,(H,19,22)/b12-8-.
What are the key properties of (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 310.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 725447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).