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

C20H24N4O4 — CID 135599768

IUPAC(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide
SMILESCCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H24N4O4/c1-5-28-17-10-7-16(8-11-17)22-20(24-25)14(2)23-21-13-15-6-9-18(26-3)12-19(15)27-4/h6-13,25H,5H2,1-4H3,(H,22,24)/b21-13+,23-14+
InChIKeyZQMCKLZJDSDXFA-WFTGYDCDSA-N
MW384.44 g/mol
LogP3.61
Rot. Bonds8

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

(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide (PubChem CID 135599768) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide
PubChem CID135599768
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide
SMILESCCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H24N4O4/c1-5-28-17-10-7-16(8-11-17)22-20(24-25)14(2)23-21-13-15-6-9-18(26-3)12-19(15)27-4/h6-13,25H,5H2,1-4H3,(H,22,24)/b21-13+,23-14+
InChIKeyZQMCKLZJDSDXFA-WFTGYDCDSA-N
XLogP3.61
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
The IUPAC name of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide (CID 135599768) is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide.
What is the SMILES notation for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
The canonical SMILES for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide is CCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
The InChIKey is ZQMCKLZJDSDXFA-WFTGYDCDSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-5-28-17-10-7-16(8-11-17)22-20(24-25)14(2)23-21-13-15-6-9-18(26-3)12-19(15)27-4/h6-13,25H,5H2,1-4H3,(H,22,24)/b21-13+,23-14+.
What are the key properties of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide?
(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide has a molecular weight of 384.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N'-(4-ethoxyphenyl)-N-hydroxypropanimidamide is sourced from PubChem (CID 135599768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).