N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide

C25H28N4O4 — CID 94837129

IUPACN-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-15-7-10-22(16(2)11-15)29-17(3)12-19(18(29)4)14-26-28-25(31)24(30)27-21-9-8-20(32-5)13-23(21)33-6/h7-14H,1-6H3,(H,27,30)(H,28,31)/b26-14-
InChIKeyYEOGUXFOJSAGKB-WGARJPEWSA-N
MW448.52 g/mol
LogP3.82
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide

N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide (PubChem CID 94837129) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
PubChem CID94837129
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)c(OC)c1
InChIInChI=1S/C25H28N4O4/c1-15-7-10-22(16(2)11-15)29-17(3)12-19(18(29)4)14-26-28-25(31)24(30)27-21-9-8-20(32-5)13-23(21)33-6/h7-14H,1-6H3,(H,27,30)(H,28,31)/b26-14-
InChIKeyYEOGUXFOJSAGKB-WGARJPEWSA-N
XLogP3.82
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
CID 94836783
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 6040057
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
N'-[(E)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 6871559
N-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 3128310
N-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 94837733
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94836613
N-(2-chlorophenyl)-N'-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 132910863
N-(2,4-dimethoxyphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 6880599
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 4304608

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide (CID 94837129) is N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide is COc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide?
The InChIKey is YEOGUXFOJSAGKB-WGARJPEWSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15-7-10-22(16(2)11-15)29-17(3)12-19(18(29)4)14-26-28-25(31)24(30)27-21-9-8-20(32-5)13-23(21)33-6/h7-14H,1-6H3,(H,27,30)(H,28,31)/b26-14-.
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide?
N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide has a molecular weight of 448.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide is sourced from PubChem (CID 94837129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).