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

C18H18N2O5 — CID 155554059

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H18N2O5/c1-24-16-9-12(3-6-14(16)21)5-8-18(23)20-19-11-13-4-7-15(22)17(10-13)25-2/h3-11,21-22H,1-2H3,(H,20,23)/b8-5+,19-11+
InChIKeyZCKUVHXHXUYSSE-CEGJKDKLSA-N
MW342.35 g/mol
LogP2.28
Rot. Bonds6

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

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide (PubChem CID 155554059) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide
PubChem CID155554059
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H18N2O5/c1-24-16-9-12(3-6-14(16)21)5-8-18(23)20-19-11-13-4-7-15(22)17(10-13)25-2/h3-11,21-22H,1-2H3,(H,20,23)/b8-5+,19-11+
InChIKeyZCKUVHXHXUYSSE-CEGJKDKLSA-N
XLogP2.28
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide (CID 155554059) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide is COc1cc(/C=C/C(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide?
The InChIKey is ZCKUVHXHXUYSSE-CEGJKDKLSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-16-9-12(3-6-14(16)21)5-8-18(23)20-19-11-13-4-7-15(22)17(10-13)25-2/h3-11,21-22H,1-2H3,(H,20,23)/b8-5+,19-11+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide has a molecular weight of 342.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]prop-2-enamide is sourced from PubChem (CID 155554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).