N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide

C22H20N4O4 — CID 26518462

About N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide

N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide (PubChem CID 26518462) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide
• PubChem CID: 26518462
• Molecular Formula: C22H20N4O4
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.15
• IUPAC Name: N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1
• InChI: InChI=1S/C22H20N4O4/c1-11-17-18(22(25-11)15-5-3-4-6-16(15)24-21(22)30)20(29)26(19(17)28)14-9-7-13(8-10-14)23-12(2)27/h3-11,17-18,25H,1-2H3,(H,23,27)(H,24,30)/t11-,17+,18+,22-/m0/s1
• InChIKey: APSOXGPIXXHVNR-QKPDRWLSSA-N
• XLogP: 1.59
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide?

The IUPAC name of N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide (CID 26518462) is N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1.

What is the InChIKey of N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide?

The InChIKey is APSOXGPIXXHVNR-QKPDRWLSSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-11-17-18(22(25-11)15-5-3-4-6-16(15)24-21(22)30)20(29)26(19(17)28)14-9-7-13(8-10-14)23-12(2)27/h3-11,17-18,25H,1-2H3,(H,23,27)(H,24,30)/t11-,17+,18+,22-/m0/s1.

What are the key properties of N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide?

N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide is sourced from PubChem (CID 26518462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).