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

C24H20N2O4 — CID 2367807

IUPAC(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C24H20N2O4/c1-2-29-23-15-17(8-13-22(23)27)14-18(16-25)24(28)26-19-9-11-21(12-10-19)30-20-6-4-3-5-7-20/h3-15,27H,2H2,1H3,(H,26,28)/b18-14-
InChIKeyOBJJANNJLLLCIC-JXAWBTAJSA-N
MW400.43 g/mol
LogP5.13
Rot. Bonds7

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

(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 2367807) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID2367807
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESCCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O
InChIInChI=1S/C24H20N2O4/c1-2-29-23-15-17(8-13-22(23)27)14-18(16-25)24(28)26-19-9-11-21(12-10-19)30-20-6-4-3-5-7-20/h3-15,27H,2H2,1H3,(H,26,28)/b18-14-
InChIKeyOBJJANNJLLLCIC-JXAWBTAJSA-N
XLogP5.13
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.13
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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Related Compounds

(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 21209303
(Z)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 99915300
(Z)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 696275
(E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-phenylprop-2-enamide
CID 1271405
2-cyano-3-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]-N-phenylprop-2-enamide
CID 5013466
2-cyano-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 75895568
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 4809621
(Z)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 869243
(Z)-2-cyano-3-(2-ethoxyanilino)-N-(4-phenoxyphenyl)prop-2-enamide
CID 108849772
(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2097168
(Z)-3-(3-bromo-4-ethoxyphenyl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 2360150
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26475961

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide (CID 2367807) is (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide is CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O.
What is the InChIKey of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is OBJJANNJLLLCIC-JXAWBTAJSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-29-23-15-17(8-13-22(23)27)14-18(16-25)24(28)26-19-9-11-21(12-10-19)30-20-6-4-3-5-7-20/h3-15,27H,2H2,1H3,(H,26,28)/b18-14-.
What are the key properties of (Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 400.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 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-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2367807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).