N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C23H25ClN4O6 — CID 55329891

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 55329891) has the molecular formula C23H25ClN4O6 and a molecular weight of 488.93 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• PubChem CID: 55329891
• Molecular Formula: C23H25ClN4O6
• Molecular Weight: 488.93 g/mol
• Exact Mass: 488.15
• IUPAC Name: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)C2=O)cc1
• InChI: InChI=1S/C23H25ClN4O6/c1-23(14-5-8-16(33-3)9-6-14)21(31)28(22(32)26-23)13-20(30)27(2)12-19(29)25-17-11-15(24)7-10-18(17)34-4/h5-11H,12-13H2,1-4H3,(H,25,29)(H,26,32)
• InChIKey: ZZDLDCJGTMYGEQ-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.93
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 55329891) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)C2=O)cc1.

What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

The InChIKey is ZZDLDCJGTMYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O6/c1-23(14-5-8-16(33-3)9-6-14)21(31)28(22(32)26-23)13-20(30)27(2)12-19(29)25-17-11-15(24)7-10-18(17)34-4/h5-11H,12-13H2,1-4H3,(H,25,29)(H,26,32).

What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 488.93 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55329891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).