2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C21H30N4O4 — CID 52702584

About 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 52702584) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
• PubChem CID: 52702584
• Molecular Formula: C21H30N4O4
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.23
• IUPAC Name: 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
• SMILES: CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)C1=O
• InChI: InChI=1S/C21H30N4O4/c1-4-21(3)19(27)25(20(28)23-21)14-18(26)22-13-17(24-9-11-29-12-10-24)16-7-5-15(2)6-8-16/h5-8,17H,4,9-14H2,1-3H3,(H,22,26)(H,23,28)/t17-,21-/m1/s1
• InChIKey: GBLHDFKJKIHBQW-DYESRHJHSA-N
• XLogP: 1.21
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
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-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?

The IUPAC name of 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 52702584) is 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

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

The canonical SMILES for 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is CC[C@@]1(C)NC(=O)N(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)C1=O.

What is the InChIKey of 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?

The InChIKey is GBLHDFKJKIHBQW-DYESRHJHSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-4-21(3)19(27)25(20(28)23-21)14-18(26)22-13-17(24-9-11-29-12-10-24)16-7-5-15(2)6-8-16/h5-8,17H,4,9-14H2,1-3H3,(H,22,26)(H,23,28)/t17-,21-/m1/s1.

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

2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 52702584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).