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

C23H24N4O2 — CID 94836783

IUPACN'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
SMILESCc1ccc(-n2c(C)cc(/C=N\NC(=O)C(=O)Nc3ccccc3)c2C)c(C)c1
InChIInChI=1S/C23H24N4O2/c1-15-10-11-21(16(2)12-15)27-17(3)13-19(18(27)4)14-24-26-23(29)22(28)25-20-8-6-5-7-9-20/h5-14H,1-4H3,(H,25,28)(H,26,29)/b24-14-
InChIKeyDRPARRZQNMVJRO-OYKKKHCWSA-N
MW388.47 g/mol
LogP3.80
Rot. Bonds4

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

N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide (PubChem CID 94836783) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
PubChem CID94836783
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
SMILESCc1ccc(-n2c(C)cc(/C=N\NC(=O)C(=O)Nc3ccccc3)c2C)c(C)c1
InChIInChI=1S/C23H24N4O2/c1-15-10-11-21(16(2)12-15)27-17(3)13-19(18(27)4)14-24-26-23(29)22(28)25-20-8-6-5-7-9-20/h5-14H,1-4H3,(H,25,28)(H,26,29)/b24-14-
InChIKeyDRPARRZQNMVJRO-OYKKKHCWSA-N
XLogP3.80
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1R)-1-phenylethyl]oxamide
CID 94836613
N-(4-bromophenyl)-N'-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]oxamide
CID 3734442
N-(4-bromophenyl)-N'-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 5154206
N'-[(Z)-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
CID 94836782
N'-[(Z)-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 94836793
N-(2,4-dimethoxyphenyl)-N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94837129
N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 6040057
N-(2-chlorophenyl)-N'-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 132910863
N'-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 94863609
N-(4-chlorophenyl)-N'-[[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 132951169
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide (CID 94836783) is N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide is Cc1ccc(-n2c(C)cc(/C=N\NC(=O)C(=O)Nc3ccccc3)c2C)c(C)c1.
What is the InChIKey of N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide?
The InChIKey is DRPARRZQNMVJRO-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-10-11-21(16(2)12-15)27-17(3)13-19(18(27)4)14-24-26-23(29)22(28)25-20-8-6-5-7-9-20/h5-14H,1-4H3,(H,25,28)(H,26,29)/b24-14-.
What are the key properties of N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide?
N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide has a molecular weight of 388.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 94836783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).