N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide

C16H14N4O5 — CID 19660912

IUPACN-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O5/c1-25-13-8-6-12(7-9-13)18-15(21)16(22)19-17-10-11-4-2-3-5-14(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyYDDPEXODLFIDLR-LICLKQGHSA-N
MW342.31 g/mol
LogP1.69
Rot. Bonds5

About N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide

N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide (PubChem CID 19660912) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
PubChem CID19660912
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O5/c1-25-13-8-6-12(7-9-13)18-15(21)16(22)19-17-10-11-4-2-3-5-14(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyYDDPEXODLFIDLR-LICLKQGHSA-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'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
CID 94847546
N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
CID 5108255
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
1-(4-methylphenyl)-3-[(2-nitrophenyl)methylideneamino]thiourea
CID 777040
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 137122813
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126265492
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
[2-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 19660644

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide (CID 19660912) is N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide?
The InChIKey is YDDPEXODLFIDLR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-25-13-8-6-12(7-9-13)18-15(21)16(22)19-17-10-11-4-2-3-5-14(11)20(23)24/h2-10H,1H3,(H,18,21)(H,19,22)/b17-10+.
What are the key properties of N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide?
N-(4-methoxyphenyl)-N'-[(E)-(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-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 19660912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).