(2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide

C15H16N2O3 — CID 137227579

IUPAC(2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide
SMILESC=C/C=C(O)\C(=C/C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H16N2O3/c1-3-7-14(19)12(4-2)15(20)17-16-10-11-8-5-6-9-13(11)18/h3-10,18-19H,1H2,2H3,(H,17,20)/b12-4+,14-7+,16-10+
InChIKeyRBUILWFCVGQIJV-MOOIDSEMSA-N
MW272.30 g/mol
LogP2.42
Rot. Bonds5

About (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide

(2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide (PubChem CID 137227579) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide
PubChem CID137227579
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide
SMILESC=C/C=C(O)\C(=C/C)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H16N2O3/c1-3-7-14(19)12(4-2)15(20)17-16-10-11-8-5-6-9-13(11)18/h3-10,18-19H,1H2,2H3,(H,17,20)/b12-4+,14-7+,16-10+
InChIKeyRBUILWFCVGQIJV-MOOIDSEMSA-N
XLogP2.42
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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 (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide?
The IUPAC name of (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide (CID 137227579) is (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide.
What is the SMILES notation for (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide?
The canonical SMILES for (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide is C=C/C=C(O)\C(=C/C)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide?
The InChIKey is RBUILWFCVGQIJV-MOOIDSEMSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-7-14(19)12(4-2)15(20)17-16-10-11-8-5-6-9-13(11)18/h3-10,18-19H,1H2,2H3,(H,17,20)/b12-4+,14-7+,16-10+.
What are the key properties of (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide?
(2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide has a molecular weight of 272.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]hexa-3,5-dienamide is sourced from PubChem (CID 137227579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).