2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C23H27N5O5 — CID 55437036

About 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 55437036) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
• PubChem CID: 55437036
• Molecular Formula: C23H27N5O5
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.20
• IUPAC Name: 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
• SMILES: COc1cccc(C2(C)NC(=O)N(NC(=O)CN(C)CC(=O)Nc3ccc(C)cc3)C2=O)c1
• InChI: InChI=1S/C23H27N5O5/c1-15-8-10-17(11-9-15)24-19(29)13-27(3)14-20(30)26-28-21(31)23(2,25-22(28)32)16-6-5-7-18(12-16)33-4/h5-12H,13-14H2,1-4H3,(H,24,29)(H,25,32)(H,26,30)
• InChIKey: YVRKNHLAMFOLFN-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	3
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 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 55437036) is 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is COc1cccc(C2(C)NC(=O)N(NC(=O)CN(C)CC(=O)Nc3ccc(C)cc3)C2=O)c1.

What is the InChIKey of 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?

The InChIKey is YVRKNHLAMFOLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-15-8-10-17(11-9-15)24-19(29)13-27(3)14-20(30)26-28-21(31)23(2,25-22(28)32)16-6-5-7-18(12-16)33-4/h5-12H,13-14H2,1-4H3,(H,24,29)(H,25,32)(H,26,30).

What are the key properties of 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?

2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 453.50 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55437036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).