N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

C22H32N6O4 — CID 43013305

About N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 43013305) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
• PubChem CID: 43013305
• Molecular Formula: C22H32N6O4
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.25
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
• SMILES: CCC1(C)NC(=O)N(NC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1=O
• InChI: InChI=1S/C22H32N6O4/c1-5-22(4)20(31)28(21(32)24-22)25-18(30)14-27-11-9-26(10-12-27)13-17(29)23-19-15(2)7-6-8-16(19)3/h6-8H,5,9-14H2,1-4H3,(H,23,29)(H,24,32)(H,25,30)
• InChIKey: RTIFBXCXMVIKBC-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 114.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	0.61
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 N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 43013305) is N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is CCC1(C)NC(=O)N(NC(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1=O.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The InChIKey is RTIFBXCXMVIKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c1-5-22(4)20(31)28(21(32)24-22)25-18(30)14-27-11-9-26(10-12-27)13-17(29)23-19-15(2)7-6-8-16(19)3/h6-8H,5,9-14H2,1-4H3,(H,23,29)(H,24,32)(H,25,30).

What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43013305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).