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

C19H18N2O4 — CID 869500

IUPAC(Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-3-25-17-9-4-13(11-18(17)24-2)10-14(12-20)19(23)21-15-5-7-16(22)8-6-15/h4-11,22H,3H2,1-2H3,(H,21,23)/b14-10-
InChIKeyVXHZQEXLKFMJES-UVTDQMKNSA-N
MW338.36 g/mol
LogP3.35
Rot. Bonds6

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

(Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 869500) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID869500
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-3-25-17-9-4-13(11-18(17)24-2)10-14(12-20)19(23)21-15-5-7-16(22)8-6-15/h4-11,22H,3H2,1-2H3,(H,21,23)/b14-10-
InChIKeyVXHZQEXLKFMJES-UVTDQMKNSA-N
XLogP3.35
TPSA91.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 869500) is (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC.
What is the InChIKey of (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is VXHZQEXLKFMJES-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-17-9-4-13(11-18(17)24-2)10-14(12-20)19(23)21-15-5-7-16(22)8-6-15/h4-11,22H,3H2,1-2H3,(H,21,23)/b14-10-.
What are the key properties of (Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 338.36 g/mol, XLogP of 3.35, 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-ethoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 869500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).