2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C23H28N4O3 — CID 78828807

About 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 78828807) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• PubChem CID: 78828807
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• SMILES: Cc1cc(NC(=O)CN(C)CC(=O)c2cc(C)n(CCc3ccccc3)c2C)no1
• InChI: InChI=1S/C23H28N4O3/c1-16-12-20(18(3)27(16)11-10-19-8-6-5-7-9-19)21(28)14-26(4)15-23(29)24-22-13-17(2)30-25-22/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,24,25,29)
• InChIKey: GOQZCZOMIBTSAR-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The IUPAC name of 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 78828807) is 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

What is the SMILES notation for 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The canonical SMILES for 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)CC(=O)c2cc(C)n(CCc3ccccc3)c2C)no1.

What is the InChIKey of 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

The InChIKey is GOQZCZOMIBTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-16-12-20(18(3)27(16)11-10-19-8-6-5-7-9-19)21(28)14-26(4)15-23(29)24-22-13-17(2)30-25-22/h5-9,12-13H,10-11,14-15H2,1-4H3,(H,24,25,29).

What are the key properties of 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?

2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 78828807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).