N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

C25H23ClN4O6 — CID 94832886

About N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide

N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 94832886) has the molecular formula C25H23ClN4O6 and a molecular weight of 510.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
• PubChem CID: 94832886
• Molecular Formula: C25H23ClN4O6
• Molecular Weight: 510.93 g/mol
• Exact Mass: 510.13
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
• SMILES: COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1
• InChI: InChI=1S/C25H23ClN4O6/c1-34-19-10-6-18(7-11-19)28-23(31)15-36-20-8-3-16(4-9-20)14-27-30-25(33)24(32)29-21-13-17(26)5-12-22(21)35-2/h3-14H,15H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)/b27-14-
• InChIKey: IKPKTQSBDHKZLP-VYYCAZPPSA-N
• XLogP: 3.46
• TPSA: 127.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.93
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 94832886) is N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?

The InChIKey is IKPKTQSBDHKZLP-VYYCAZPPSA-N. The full InChI is InChI=1S/C25H23ClN4O6/c1-34-19-10-6-18(7-11-19)28-23(31)15-36-20-8-3-16(4-9-20)14-27-30-25(33)24(32)29-21-13-17(26)5-12-22(21)35-2/h3-14H,15H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)/b27-14-.

What are the key properties of N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?

N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide has a molecular weight of 510.93 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 94832886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).