(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide

C19H20N2O5 — CID 162676954

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide
SMILESCOc1cccc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C19H20N2O5/c1-25-15-5-3-4-14(11-15)21-19(24)12-20-18(23)9-7-13-6-8-16(22)17(10-13)26-2/h3-11,22H,12H2,1-2H3,(H,20,23)(H,21,24)/b9-7+
InChIKeyDBMZBMJYDIJUPI-VQHVLOKHSA-N
MW356.38 g/mol
LogP2.18
Rot. Bonds7

About (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 162676954) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide
PubChem CID162676954
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide
SMILESCOc1cccc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)c1
InChIInChI=1S/C19H20N2O5/c1-25-15-5-3-4-14(11-15)21-19(24)12-20-18(23)9-7-13-6-8-16(22)17(10-13)26-2/h3-11,22H,12H2,1-2H3,(H,20,23)(H,21,24)/b9-7+
InChIKeyDBMZBMJYDIJUPI-VQHVLOKHSA-N
XLogP2.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide (CID 162676954) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide is COc1cccc(NC(=O)CNC(=O)/C=C/c2ccc(O)c(OC)c2)c1.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is DBMZBMJYDIJUPI-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-15-5-3-4-14(11-15)21-19(24)12-20-18(23)9-7-13-6-8-16(22)17(10-13)26-2/h3-11,22H,12H2,1-2H3,(H,20,23)(H,21,24)/b9-7+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 162676954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).