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

C32H29N5O4 — CID 100848954

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

N-[4-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide (PubChem CID 100848954) has the molecular formula C32H29N5O4 and a molecular weight of 547.62 g/mol. Its IUPAC name is N-[4-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-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-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide
• PubChem CID: 100848954
• Molecular Formula: C32H29N5O4
• Molecular Weight: 547.62 g/mol
• Exact Mass: 547.22
• IUPAC Name: N-[4-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide
• SMILES: CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2
• InChI: InChI=1S/C32H29N5O4/c1-3-18-8-13-25-23(14-18)32(31(41)35-25)28-27(26(36-32)15-19-16-33-24-7-5-4-6-22(19)24)29(39)37(30(28)40)21-11-9-20(10-12-21)34-17(2)38/h4-14,16,26-28,33,36H,3,15H2,1-2H3,(H,34,38)(H,35,41)/t26-,27+,28-,32-/m1/s1
• InChIKey: XAGUWEUGOILZHF-FFAHVWSXSA-N
• XLogP: 3.86
• TPSA: 123.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.62
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	4
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-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-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-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide (CID 100848954) is N-[4-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-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-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-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-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide is CCc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]31)C(=O)N2.

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

The InChIKey is XAGUWEUGOILZHF-FFAHVWSXSA-N. The full InChI is InChI=1S/C32H29N5O4/c1-3-18-8-13-25-23(14-18)32(31(41)35-25)28-27(26(36-32)15-19-16-33-24-7-5-4-6-22(19)24)29(39)37(30(28)40)21-11-9-20(10-12-21)34-17(2)38/h4-14,16,26-28,33,36H,3,15H2,1-2H3,(H,34,38)(H,35,41)/t26-,27+,28-,32-/m1/s1.

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

N-[4-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-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 547.62 g/mol, XLogP of 3.86, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(1R,3S,3aS,6aR)-5'-ethyl-1-(1H-indol-3-ylmethyl)-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 100848954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).