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

C19H22N4O3 — CID 135599775

IUPAC(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
SMILESCOc1ccc(/C=N/N=C(C)/C(=N/c2ccc(C)cc2)NO)c(OC)c1
InChIInChI=1S/C19H22N4O3/c1-13-5-8-16(9-6-13)21-19(23-24)14(2)22-20-12-15-7-10-17(25-3)11-18(15)26-4/h5-12,24H,1-4H3,(H,21,23)/b20-12+,22-14+
InChIKeyFGZZLBCJYILYNM-DWHBXHIASA-N
MW354.41 g/mol
LogP3.52
Rot. Bonds6

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

(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide (PubChem CID 135599775) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
PubChem CID135599775
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
SMILESCOc1ccc(/C=N/N=C(C)/C(=N/c2ccc(C)cc2)NO)c(OC)c1
InChIInChI=1S/C19H22N4O3/c1-13-5-8-16(9-6-13)21-19(23-24)14(2)22-20-12-15-7-10-17(25-3)11-18(15)26-4/h5-12,24H,1-4H3,(H,21,23)/b20-12+,22-14+
InChIKeyFGZZLBCJYILYNM-DWHBXHIASA-N
XLogP3.52
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methylphenyl)propanimidamide?
The IUPAC name of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide (CID 135599775) is (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide.
What is the SMILES notation for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The canonical SMILES for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide is COc1ccc(/C=N/N=C(C)/C(=N/c2ccc(C)cc2)NO)c(OC)c1.
What is the InChIKey of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
The InChIKey is FGZZLBCJYILYNM-DWHBXHIASA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-5-8-16(9-6-13)21-19(23-24)14(2)22-20-12-15-7-10-17(25-3)11-18(15)26-4/h5-12,24H,1-4H3,(H,21,23)/b20-12+,22-14+.
What are the key properties of (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide?
(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide has a molecular weight of 354.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide is sourced from PubChem (CID 135599775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).