N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide

C16H14N4O5 — CID 5108255

IUPACN-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O5/c1-25-14-9-5-3-7-12(14)18-15(21)16(22)19-17-10-11-6-2-4-8-13(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)
InChIKeyKIPPJFROKFCHDT-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.69
Rot. Bonds5

About N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide

N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide (PubChem CID 5108255) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
PubChem CID5108255
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O5/c1-25-14-9-5-3-7-12(14)18-15(21)16(22)19-17-10-11-6-2-4-8-13(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)
InChIKeyKIPPJFROKFCHDT-UHFFFAOYSA-N
XLogP1.69
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
N-(2-methoxyphenyl)-N'-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide
CID 51061190
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
2-methoxy-N-[2-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4007452
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide (CID 5108255) is N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide is COc1ccccc1NC(=O)C(=O)NN=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide?
The InChIKey is KIPPJFROKFCHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-25-14-9-5-3-7-12(14)18-15(21)16(22)19-17-10-11-6-2-4-8-13(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide?
N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide has a molecular weight of 342.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 5108255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).