N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide

C28H30N4O5 — CID 126272820

About N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide

N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126272820) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
• PubChem CID: 126272820
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
• SMILES: COc1ccc(CNC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1
• InChI: InChI=1S/C28H30N4O5/c1-18-13-19(2)26(20(3)14-18)31-25(33)17-37-24-8-6-5-7-22(24)16-30-32-28(35)27(34)29-15-21-9-11-23(36-4)12-10-21/h5-14,16H,15,17H2,1-4H3,(H,29,34)(H,31,33)(H,32,35)/b30-16-
• InChIKey: QRNCGUXMWAMFEM-UHBFCERESA-N
• XLogP: 3.40
• TPSA: 118.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?

The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide (CID 126272820) is N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide.

What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide is COc1ccc(CNC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1.

What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?

The InChIKey is QRNCGUXMWAMFEM-UHBFCERESA-N. The full InChI is InChI=1S/C28H30N4O5/c1-18-13-19(2)26(20(3)14-18)31-25(33)17-37-24-8-6-5-7-22(24)16-30-32-28(35)27(34)29-15-21-9-11-23(36-4)12-10-21/h5-14,16H,15,17H2,1-4H3,(H,29,34)(H,31,33)(H,32,35)/b30-16-.

What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide?

N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 502.57 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126272820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).