N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C25H29N5O5 — CID 42908781

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 42908781) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 42908781
• Molecular Formula: C25H29N5O5
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.22
• IUPAC Name: N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
• InChI: InChI=1S/C25H29N5O5/c1-5-29(14-21(32)27-20-12-10-19(11-13-20)26-17(3)31)22(33)15-30-23(34)25(4,28-24(30)35)18-8-6-16(2)7-9-18/h6-13H,5,14-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,35)
• InChIKey: JPYORIJSIPODHW-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 42908781) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O.

What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is JPYORIJSIPODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-5-29(14-21(32)27-20-12-10-19(11-13-20)26-17(3)31)22(33)15-30-23(34)25(4,28-24(30)35)18-8-6-16(2)7-9-18/h6-13H,5,14-15H2,1-4H3,(H,26,31)(H,27,32)(H,28,35).

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

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 479.54 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 42908781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).