N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide

C18H18N4O4 — CID 4115842

IUPACN-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O4/c1-11-4-9-16(12(2)10-11)19-17(23)18(24)21-20-13(3)14-5-7-15(8-6-14)22(25)26/h4-10H,1-3H3,(H,19,23)(H,21,24)
InChIKeyFJNHDWFFMZSSRN-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.69
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide

N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide (PubChem CID 4115842) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide
PubChem CID4115842
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H18N4O4/c1-11-4-9-16(12(2)10-11)19-17(23)18(24)21-20-13(3)14-5-7-15(8-6-14)22(25)26/h4-10H,1-3H3,(H,19,23)(H,21,24)
InChIKeyFJNHDWFFMZSSRN-UHFFFAOYSA-N
XLogP2.69
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
[4-[(E)-N-[[2-(2,4-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 3-methylbenzoate
CID 19658161
N-(2,4-dimethylphenyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3505980
N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659382
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
2-(2,4-dimethylanilino)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 968312
4-N-(2,4-dimethylphenyl)-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46501140
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 45097641
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide (CID 4115842) is N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide is CC(=NNC(=O)C(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide?
The InChIKey is FJNHDWFFMZSSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-4-9-16(12(2)10-11)19-17(23)18(24)21-20-13(3)14-5-7-15(8-6-14)22(25)26/h4-10H,1-3H3,(H,19,23)(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide?
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide has a molecular weight of 354.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]oxamide is sourced from PubChem (CID 4115842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).