(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide

C20H20N2O4 — CID 24761806

IUPAC(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)NC(C)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C20H20N2O4/c1-13(15-7-5-4-6-8-15)22-20(24)16(12-21)9-14-10-17(25-2)19(23)18(11-14)26-3/h4-11,13,23H,1-3H3,(H,22,24)/b16-9-
InChIKeyFVZRQWRPNIERAE-SXGWCWSVSA-N
MW352.39 g/mol
LogP3.19
Rot. Bonds6

About (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide (PubChem CID 24761806) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
PubChem CID24761806
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCOc1cc(/C=C(/C#N)C(=O)NC(C)c2ccccc2)cc(OC)c1O
InChIInChI=1S/C20H20N2O4/c1-13(15-7-5-4-6-8-15)22-20(24)16(12-21)9-14-10-17(25-2)19(23)18(11-14)26-3/h4-11,13,23H,1-3H3,(H,22,24)/b16-9-
InChIKeyFVZRQWRPNIERAE-SXGWCWSVSA-N
XLogP3.19
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.19
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 (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide (CID 24761806) is (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide is COc1cc(/C=C(/C#N)C(=O)NC(C)c2ccccc2)cc(OC)c1O.
What is the InChIKey of (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is FVZRQWRPNIERAE-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(15-7-5-4-6-8-15)22-20(24)16(12-21)9-14-10-17(25-2)19(23)18(11-14)26-3/h4-11,13,23H,1-3H3,(H,22,24)/b16-9-.
What are the key properties of (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 352.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 24761806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).