(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide

C19H22N4O4 — CID 135599767

IUPAC(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H22N4O4/c1-13(19(23-24)21-15-6-9-16(25-2)10-7-15)22-20-12-14-5-8-17(26-3)11-18(14)27-4/h5-12,24H,1-4H3,(H,21,23)/b20-12+,22-13+
InChIKeyNAADKENIWXDBLQ-OQQHTXQFSA-N
MW370.41 g/mol
LogP3.22
Rot. Bonds7

About (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide

(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide (PubChem CID 135599767) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide
PubChem CID135599767
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide
SMILESCOc1ccc(/N=C(NO)/C(C)=N/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H22N4O4/c1-13(19(23-24)21-15-6-9-16(25-2)10-7-15)22-20-12-14-5-8-17(26-3)11-18(14)27-4/h5-12,24H,1-4H3,(H,21,23)/b20-12+,22-13+
InChIKeyNAADKENIWXDBLQ-OQQHTXQFSA-N
XLogP3.22
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.22
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-hydroxy-N'-(4-methoxyphenyl)propanimidamide?
The IUPAC name of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide (CID 135599767) is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide.
What is the SMILES notation for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide?
The canonical SMILES for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide is COc1ccc(/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-hydroxy-N'-(4-methoxyphenyl)propanimidamide?
The InChIKey is NAADKENIWXDBLQ-OQQHTXQFSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13(19(23-24)21-15-6-9-16(25-2)10-7-15)22-20-12-14-5-8-17(26-3)11-18(14)27-4/h5-12,24H,1-4H3,(H,21,23)/b20-12+,22-13+.
What are the key properties of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide?
(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methoxyphenyl)propanimidamide has a molecular weight of 370.41 g/mol, XLogP of 3.22, 7 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-hydroxy-N'-(4-methoxyphenyl)propanimidamide is sourced from PubChem (CID 135599767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).