N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide

C18H19N3O2 — CID 6288830

IUPACN-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
SMILESCc1cc(C)c(/C=N\NC(=O)C(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H19N3O2/c1-12-9-13(2)16(14(3)10-12)11-19-21-18(23)17(22)20-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyWSBSQTQTUIQWBZ-ODLFYWEKSA-N
MW309.37 g/mol
LogP2.70
Rot. Bonds3

About N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide

N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide (PubChem CID 6288830) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
PubChem CID6288830
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
SMILESCc1cc(C)c(/C=N\NC(=O)C(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C18H19N3O2/c1-12-9-13(2)16(14(3)10-12)11-19-21-18(23)17(22)20-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyWSBSQTQTUIQWBZ-ODLFYWEKSA-N
XLogP2.70
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N'-[(Z)-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-phenyloxamide
CID 94836783
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
CID 135785163
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
CID 9155826
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N'-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide?
The IUPAC name of N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide (CID 6288830) is N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide is Cc1cc(C)c(/C=N\NC(=O)C(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide?
The InChIKey is WSBSQTQTUIQWBZ-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-9-13(2)16(14(3)10-12)11-19-21-18(23)17(22)20-15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-.
What are the key properties of N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide?
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide has a molecular weight of 309.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6288830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).