N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

C17H17N3O3 — CID 5334272

IUPACN'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-3-7-14(8-4-12)19-16(21)17(22)20-18-11-13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,19,21)(H,20,22)/b18-11+
InChIKeyMVMDZOYRMGYXDV-WOJGMQOQSA-N
MW311.34 g/mol
LogP2.09
Rot. Bonds4

About N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 5334272) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID5334272
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-3-7-14(8-4-12)19-16(21)17(22)20-18-11-13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,19,21)(H,20,22)/b18-11+
InChIKeyMVMDZOYRMGYXDV-WOJGMQOQSA-N
XLogP2.09
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 5334272) is N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is MVMDZOYRMGYXDV-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-3-7-14(8-4-12)19-16(21)17(22)20-18-11-13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,19,21)(H,20,22)/b18-11+.
What are the key properties of N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 311.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 5334272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).