2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C19H27N3O6 — CID 122169366

About 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 122169366) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
• PubChem CID: 122169366
• Molecular Formula: C19H27N3O6
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.19
• IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
• SMILES: COc1ccc(CN2C(=O)NC(CC(=O)NC(CO)C(C)C)C2=O)cc1OC
• InChI: InChI=1S/C19H27N3O6/c1-11(2)14(10-23)20-17(24)8-13-18(25)22(19(26)21-13)9-12-5-6-15(27-3)16(7-12)28-4/h5-7,11,13-14,23H,8-10H2,1-4H3,(H,20,24)(H,21,26)
• InChIKey: CEJVRJNYABLGNK-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	0.65
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 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?

The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 122169366) is 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

What is the SMILES notation for 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?

The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is COc1ccc(CN2C(=O)NC(CC(=O)NC(CO)C(C)C)C2=O)cc1OC.

What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?

The InChIKey is CEJVRJNYABLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-11(2)14(10-23)20-17(24)8-13-18(25)22(19(26)21-13)9-12-5-6-15(27-3)16(7-12)28-4/h5-7,11,13-14,23H,8-10H2,1-4H3,(H,20,24)(H,21,26).

What are the key properties of 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?

2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 0.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 122169366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).