2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate

C53H58N6O8Si — CID 159995670

About 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate

2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate (PubChem CID 159995670) has the molecular formula C53H58N6O8Si and a molecular weight of 935.17 g/mol. Its IUPAC name is 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

• Compound Name: 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate
• PubChem CID: 159995670
• Molecular Formula: C53H58N6O8Si
• Molecular Weight: 935.17 g/mol
• Exact Mass: 934.41
• IUPAC Name: 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate
• SMILES: CC(C)(C)[Si](C)(C)OCCCc1cn(CC(N)=O)c2ccccc12.COC(=O)C(=O)c1c[nH]c2ccccc12.O=C1NC(=O)C(n2cc(CCCO)c3ccccc32)=C1c1c[nH]c2ccccc12
• InChI: InChI=1S/C23H19N3O3.C19H30N2O2Si.C11H9NO3/c27-11-5-6-14-13-26(19-10-4-2-7-15(14)19)21-20(22(28)25-23(21)29)17-12-24-18-9-3-1-8-16(17)18;1-19(2,3)24(4,5)23-12-8-9-15-13-21(14-18(20)22)17-11-7-6-10-16(15)17;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h1-4,7-10,12-13,24,27H,5-6,11H2,(H,25,28,29);6-7,10-11,13H,8-9,12,14H2,1-5H3,(H2,20,22);2-6,12H,1H3
• InChIKey: OHMZFOBKGZKWER-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 203.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.17
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

The IUPAC name of 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate (CID 159995670) is 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate.

What is the SMILES notation for 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

The canonical SMILES for 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate is CC(C)(C)[Si](C)(C)OCCCc1cn(CC(N)=O)c2ccccc12.COC(=O)C(=O)c1c[nH]c2ccccc12.O=C1NC(=O)C(n2cc(CCCO)c3ccccc32)=C1c1c[nH]c2ccccc12.

What is the InChIKey of 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

The InChIKey is OHMZFOBKGZKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3.C19H30N2O2Si.C11H9NO3/c27-11-5-6-14-13-26(19-10-4-2-7-15(14)19)21-20(22(28)25-23(21)29)17-12-24-18-9-3-1-8-16(17)18;1-19(2,3)24(4,5)23-12-8-9-15-13-21(14-18(20)22)17-11-7-6-10-16(15)17;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h1-4,7-10,12-13,24,27H,5-6,11H2,(H,25,28,29);6-7,10-11,13H,8-9,12,14H2,1-5H3,(H2,20,22);2-6,12H,1H3.

What are the key properties of 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate?

2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate has a molecular weight of 935.17 g/mol, XLogP of 8.68, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 159995670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).