N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide

C25H25N3O5 — CID 4188628

IUPACN-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc(C)c3)cc2)c1
InChIInChI=1S/C25H25N3O5/c1-17-5-4-6-19(13-17)16-33-20-9-7-18(8-10-20)15-26-28-25(30)24(29)27-22-14-21(31-2)11-12-23(22)32-3/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyMOIJQMNSDHMBHJ-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.68
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide

N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 4188628) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID4188628
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc(C)c3)cc2)c1
InChIInChI=1S/C25H25N3O5/c1-17-5-4-6-19(13-17)16-33-20-9-7-18(8-10-20)15-26-28-25(30)24(29)27-22-14-21(31-2)11-12-23(22)32-3/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyMOIJQMNSDHMBHJ-UHFFFAOYSA-N
XLogP3.68
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide with MolForge

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Related Compounds

N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 5335817
N-(2,5-dimethoxyphenyl)-N'-[(E)-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661521
N-(4-methoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5077102
N'-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethoxyphenyl)oxamide
CID 5239711
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135554167
N-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
[4-[[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 2013433
N'-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 94848768
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-(2,4-dimethoxyphenyl)-N'-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660577
N-(2,4-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661572

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide (CID 4188628) is N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide is COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCc3cccc(C)c3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is MOIJQMNSDHMBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-17-5-4-6-19(13-17)16-33-20-9-7-18(8-10-20)15-26-28-25(30)24(29)27-22-14-21(31-2)11-12-23(22)32-3/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 447.49 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 4188628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).