(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide

C18H20N4O2 — CID 136658152

IUPAC(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
SMILESCC(=N\Nc1ccc(C)cc1)/C(=N\O)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H20N4O2/c1-12-8-10-15(11-9-12)21-20-14(3)17(22-24)18(23)19-16-7-5-4-6-13(16)2/h4-11,21,24H,1-3H3,(H,19,23)/b20-14+,22-17+
InChIKeyOCUJMGSZYUOGDQ-GANJHHLJSA-N
MW324.38 g/mol
LogP3.56
Rot. Bonds5

About (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide

(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide (PubChem CID 136658152) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
PubChem CID136658152
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide
SMILESCC(=N\Nc1ccc(C)cc1)/C(=N\O)C(=O)Nc1ccccc1C
InChIInChI=1S/C18H20N4O2/c1-12-8-10-15(11-9-12)21-20-14(3)17(22-24)18(23)19-16-7-5-4-6-13(16)2/h4-11,21,24H,1-3H3,(H,19,23)/b20-14+,22-17+
InChIKeyOCUJMGSZYUOGDQ-GANJHHLJSA-N
XLogP3.56
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(2-methylphenyl)hydrazinylidene]butanamide
CID 135637878
(3Z,4Z)-3-hydroxyimino-4-[(4-methylphenyl)hydrazinylidene]pentan-2-one
CID 137278520
(2E,3E)-3-(diaminomethylidenehydrazinylidene)-2-hydroxyimino-N-(2-methylphenyl)butanamide
CID 135922317
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
methyl 3-[(4-methylphenyl)hydrazinylidene]-2-oxobutanoate
CID 88827249
(2E)-2-[(4-methylphenyl)hydrazinylidene]-3-oxo-N-phenylbutanethioamide
CID 5397931
(3Z)-3-(diaminomethylidenehydrazinylidene)-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]-N-(2-methylphenyl)butanamide
CID 125115588
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
3-methyl-N-(2-methylphenyl)-2-sulfanylbut-2-enamide
CID 170032570

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide?
The IUPAC name of (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide (CID 136658152) is (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide.
What is the SMILES notation for (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide?
The canonical SMILES for (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide is CC(=N\Nc1ccc(C)cc1)/C(=N\O)C(=O)Nc1ccccc1C.
What is the InChIKey of (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide?
The InChIKey is OCUJMGSZYUOGDQ-GANJHHLJSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-8-10-15(11-9-12)21-20-14(3)17(22-24)18(23)19-16-7-5-4-6-13(16)2/h4-11,21,24H,1-3H3,(H,19,23)/b20-14+,22-17+.
What are the key properties of (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide?
(2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-hydroxyimino-N-(2-methylphenyl)-3-[(4-methylphenyl)hydrazinylidene]butanamide is sourced from PubChem (CID 136658152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).