N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide

C18H19N3O4 — CID 4118036

IUPACN-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-12-4-6-13(7-5-12)11-19-21-18(23)17(22)20-15-9-8-14(24-2)10-16(15)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUBARLQJGOKUTFH-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.10
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide

N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide (PubChem CID 4118036) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
PubChem CID4118036
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H19N3O4/c1-12-4-6-13(7-5-12)11-19-21-18(23)17(22)20-15-9-8-14(24-2)10-16(15)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyUBARLQJGOKUTFH-UHFFFAOYSA-N
XLogP2.10
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.10
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': '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'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135554167
N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 5239711
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 6880599
N-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 6017944
[3-[[[2-(2,4-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methoxybenzoate
CID 4639823
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133
N'-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 5078309

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide (CID 4118036) is N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide is COc1ccc(NC(=O)C(=O)NN=Cc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
The InChIKey is UBARLQJGOKUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-4-6-13(7-5-12)11-19-21-18(23)17(22)20-15-9-8-14(24-2)10-16(15)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide has a molecular weight of 341.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).