(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide

C18H20N4O4 — CID 135770366

IUPAC(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide
SMILESCCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H20N4O4/c1-3-26-16-8-5-14(6-9-16)20-18(22-25)12(2)21-19-11-13-4-7-15(23)10-17(13)24/h4-11,23-25H,3H2,1-2H3,(H,20,22)/b19-11+,21-12+
InChIKeyORMSTOWCVLQWDK-NDCXBJOESA-N
MW356.38 g/mol
LogP3.00
Rot. Bonds6

About (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide

(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide (PubChem CID 135770366) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide
PubChem CID135770366
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide
SMILESCCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H20N4O4/c1-3-26-16-8-5-14(6-9-16)20-18(22-25)12(2)21-19-11-13-4-7-15(23)10-17(13)24/h4-11,23-25H,3H2,1-2H3,(H,20,22)/b19-11+,21-12+
InChIKeyORMSTOWCVLQWDK-NDCXBJOESA-N
XLogP3.00
TPSA119.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
The IUPAC name of (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide (CID 135770366) is (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide is CCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(O)cc2O)cc1.
What is the InChIKey of (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
The InChIKey is ORMSTOWCVLQWDK-NDCXBJOESA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-26-16-8-5-14(6-9-16)20-18(22-25)12(2)21-19-11-13-4-7-15(23)10-17(13)24/h4-11,23-25H,3H2,1-2H3,(H,20,22)/b19-11+,21-12+.
What are the key properties of (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide has a molecular weight of 356.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide is sourced from PubChem (CID 135770366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).