2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

C33H40N6O6 — CID 59084714

About 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 59084714) has the molecular formula C33H40N6O6 and a molecular weight of 616.72 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
• PubChem CID: 59084714
• Molecular Formula: C33H40N6O6
• Molecular Weight: 616.72 g/mol
• Exact Mass: 616.30
• IUPAC Name: 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
• SMILES: Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1
• InChI: InChI=1S/C33H40N6O6/c1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37/h4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40)/t26-,29+/m1/s1
• InChIKey: GZQHDZIWQXVYRO-UHSQPCAPSA-N
• XLogP: 2.50
• TPSA: 138.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.72
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

The IUPAC name of 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (CID 59084714) is 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

What is the SMILES notation for 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

The canonical SMILES for 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)[C@@H](Cc4ccccc4)N(CCN4CCOCC4)C3=O)C(C)C)o2)c1.

What is the InChIKey of 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

The InChIKey is GZQHDZIWQXVYRO-UHSQPCAPSA-N. The full InChI is InChI=1S/C33H40N6O6/c1-22(2)29(30(41)31-36-35-28(45-31)20-25-11-7-8-23(3)18-25)34-27(40)21-39-32(42)26(19-24-9-5-4-6-10-24)38(33(39)43)13-12-37-14-16-44-17-15-37/h4-11,18,22,26,29H,12-17,19-21H2,1-3H3,(H,34,40)/t26-,29+/m1/s1.

What are the key properties of 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 616.72 g/mol, XLogP of 2.50, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 59084714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).