N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide

C16H16N4O4 — CID 135479398

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N4O4/c1-11-2-5-13(6-3-11)17-10-16(22)19-18-9-12-4-7-15(21)14(8-12)20(23)24/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9+
InChIKeyZXNROODAVRGTLJ-GIJQJNRQSA-N
MW328.33 g/mol
LogP2.17
Rot. Bonds6

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 135479398) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID135479398
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H16N4O4/c1-11-2-5-13(6-3-11)17-10-16(22)19-18-9-12-4-7-15(21)14(8-12)20(23)24/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9+
InChIKeyZXNROODAVRGTLJ-GIJQJNRQSA-N
XLogP2.17
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide 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

N'-[(1E)-(5-hydroxy-2-nitrophenyl)methylene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 9557028
3-{N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135497967
4-Fluoro-N-({N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 135521495
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
N'-(3-hydroxybenzylidene)-2-(4-toluidino)acetohydrazide
CID 5340599
N-[(E)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 9599309
3-fluoro-N-{2-[(2E)-2-(4-hydroxy-3-nitrobenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135479424
N-({N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135517039
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 155527114
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(phenylamino)acetohydrazide
CID 135821460
N-(2,5-dimethylphenyl)-2-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-2-oxoacetamide
CID 135419543
N-(4-Ethylphenyl)-2-(2-(4-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135583641

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 135479398) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is ZXNROODAVRGTLJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-11-2-5-13(6-3-11)17-10-16(22)19-18-9-12-4-7-15(21)14(8-12)20(23)24/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 135479398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).