(E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide

C19H20N2O3 — CID 135829849

IUPAC(E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide
SMILESCCOc1ccc(NC(=O)C(/C=N/c2ccccc2)=C(\C)O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-17-11-9-16(10-12-17)21-19(23)18(14(2)22)13-20-15-7-5-4-6-8-15/h4-13,22H,3H2,1-2H3,(H,21,23)/b18-14+,20-13+
InChIKeySDNMWZBIQJCRMO-NSCZGZGASA-N
MW324.38 g/mol
LogP4.26
Rot. Bonds6

About (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide

(E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide (PubChem CID 135829849) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide
PubChem CID135829849
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide
SMILESCCOc1ccc(NC(=O)C(/C=N/c2ccccc2)=C(\C)O)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-17-11-9-16(10-12-17)21-19(23)18(14(2)22)13-20-15-7-5-4-6-8-15/h4-13,22H,3H2,1-2H3,(H,21,23)/b18-14+,20-13+
InChIKeySDNMWZBIQJCRMO-NSCZGZGASA-N
XLogP4.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide?
The IUPAC name of (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide (CID 135829849) is (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide is CCOc1ccc(NC(=O)C(/C=N/c2ccccc2)=C(\C)O)cc1.
What is the InChIKey of (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide?
The InChIKey is SDNMWZBIQJCRMO-NSCZGZGASA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-17-11-9-16(10-12-17)21-19(23)18(14(2)22)13-20-15-7-5-4-6-8-15/h4-13,22H,3H2,1-2H3,(H,21,23)/b18-14+,20-13+.
What are the key properties of (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide?
(E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethoxyphenyl)-3-hydroxy-2-(phenyliminomethyl)but-2-enamide is sourced from PubChem (CID 135829849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).