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

C19H18N2O4 — CID 2208661

IUPAC(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C19H18N2O4/c1-3-25-16-6-4-5-15(11-16)21-19(23)14(12-20)9-13-7-8-17(22)18(10-13)24-2/h4-11,22H,3H2,1-2H3,(H,21,23)/b14-9-
InChIKeyLMCZWVUSOYPMJA-ZROIWOOFSA-N
MW338.36 g/mol
LogP3.35
Rot. Bonds6

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

(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 2208661) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
PubChem CID2208661
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C19H18N2O4/c1-3-25-16-6-4-5-15(11-16)21-19(23)14(12-20)9-13-7-8-17(22)18(10-13)24-2/h4-11,22H,3H2,1-2H3,(H,21,23)/b14-9-
InChIKeyLMCZWVUSOYPMJA-ZROIWOOFSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide (CID 2208661) is (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)c1.
What is the InChIKey of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is LMCZWVUSOYPMJA-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-16-6-4-5-15(11-16)21-19(23)14(12-20)9-13-7-8-17(22)18(10-13)24-2/h4-11,22H,3H2,1-2H3,(H,21,23)/b14-9-.
What are the key properties of (Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide?
(Z)-2-cyano-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)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-N-(3-ethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2208661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).