N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

C22H26ClN3O4 — CID 55583850

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (PubChem CID 55583850) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

• Compound Name: N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
• PubChem CID: 55583850
• Molecular Formula: C22H26ClN3O4
• Molecular Weight: 431.92 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
• SMILES: CN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1(c2ccccc2Cl)CCCCC1=O
• InChI: InChI=1S/C22H26ClN3O4/c1-21(14-10-11-14)19(29)26(20(30)24-21)13-18(28)25(2)22(12-6-5-9-17(22)27)15-7-3-4-8-16(15)23/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,24,30)
• InChIKey: HUSMRAOIDARLNH-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.92
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?

The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide (CID 55583850) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide.

What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?

The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is CN(C(=O)CN1C(=O)NC(C)(C2CC2)C1=O)C1(c2ccccc2Cl)CCCCC1=O.

What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?

The InChIKey is HUSMRAOIDARLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c1-21(14-10-11-14)19(29)26(20(30)24-21)13-18(28)25(2)22(12-6-5-9-17(22)27)15-7-3-4-8-16(15)23/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,24,30).

What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide?

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 431.92 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 55583850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).