2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C20H29N5O4 — CID 18088774

About 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 18088774) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
• PubChem CID: 18088774
• Molecular Formula: C20H29N5O4
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.22
• IUPAC Name: 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CN(C)CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O
• InChI: InChI=1S/C20H29N5O4/c1-14(2)21-16(26)12-24(4)13-17(27)23-25-18(28)20(3,22-19(25)29)11-10-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,21,26)(H,22,29)(H,23,27)
• InChIKey: WYDNRHSNBUTYQC-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	0.42
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 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 18088774) is 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O.

What is the InChIKey of 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The InChIKey is WYDNRHSNBUTYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-14(2)21-16(26)12-24(4)13-17(27)23-25-18(28)20(3,22-19(25)29)11-10-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,21,26)(H,22,29)(H,23,27).

What are the key properties of 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 403.48 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 18088774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).