N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide

C17H16N4O6 — CID 6017944

IUPACN-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C17H16N4O6/c1-26-13-6-7-14(15(9-13)27-2)19-16(22)17(23)20-18-10-11-4-3-5-12(8-11)21(24)25/h3-10H,1-2H3,(H,19,22)(H,20,23)/b18-10-
InChIKeyPWTOZYGNTXYKKM-ZDLGFXPLSA-N
MW372.34 g/mol
LogP1.70
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide

N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide (PubChem CID 6017944) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
PubChem CID6017944
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C17H16N4O6/c1-26-13-6-7-14(15(9-13)27-2)19-16(22)17(23)20-18-10-11-4-3-5-12(8-11)21(24)25/h3-10H,1-2H3,(H,19,22)(H,20,23)/b18-10-
InChIKeyPWTOZYGNTXYKKM-ZDLGFXPLSA-N
XLogP1.70
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N-(2,4-dimethoxyphenyl)-N'-[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]oxamide
CID 3439234
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
[3-[[[2-(2,4-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 4639823
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
[3-[(E)-[[2-(2,4-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 19661053

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide (CID 6017944) is N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide is COc1ccc(NC(=O)C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide?
The InChIKey is PWTOZYGNTXYKKM-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H16N4O6/c1-26-13-6-7-14(15(9-13)27-2)19-16(22)17(23)20-18-10-11-4-3-5-12(8-11)21(24)25/h3-10H,1-2H3,(H,19,22)(H,20,23)/b18-10-.
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide?
N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide has a molecular weight of 372.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6017944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).