N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide

C17H16N4O5 — CID 135419543

IUPACN-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C17H16N4O5/c1-10-3-4-11(2)14(7-10)19-16(23)17(24)20-18-9-12-8-13(21(25)26)5-6-15(12)22/h3-9,22H,1-2H3,(H,19,23)(H,20,24)/b18-9+
InChIKeyZKAKMOCBBLSUME-GIJQJNRQSA-N
MW356.34 g/mol
LogP2.01
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide

N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide (PubChem CID 135419543) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
PubChem CID135419543
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C17H16N4O5/c1-10-3-4-11(2)14(7-10)19-16(23)17(24)20-18-9-12-8-13(21(25)26)5-6-15(12)22/h3-9,22H,1-2H3,(H,19,23)(H,20,24)/b18-9+
InChIKeyZKAKMOCBBLSUME-GIJQJNRQSA-N
XLogP2.01
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide 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

2-(3,5-dibromo-4-methylanilino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 135419707
N'-[(1E)-(5-hydroxy-2-nitrophenyl)methylene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 9557028
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide
CID 135873632
N-(4-chloro-2-methylphenyl)-4-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-4-oxobutanamide
CID 135403929
1-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135421604
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
N-ethyl-2-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 135438780
N-(3-bromophenyl)-5-[2-[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-5-oxopentanamide
CID 135438781
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439747
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439752
N-(4-Bromophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439768
1-(4-ethylphenyl)-N'-{2-hydroxy-5-nitrobenzylidene}-5-oxo-3-pyrrolidinecarbohydrazide
CID 135455099

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide (CID 135419543) is N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide is Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
The InChIKey is ZKAKMOCBBLSUME-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-10-3-4-11(2)14(7-10)19-16(23)17(24)20-18-9-12-8-13(21(25)26)5-6-15(12)22/h3-9,22H,1-2H3,(H,19,23)(H,20,24)/b18-9+.
What are the key properties of N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide?
N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide has a molecular weight of 356.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 135419543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).