[5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate

C50H65N7O10 — CID 88839255

About [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate

[5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate (PubChem CID 88839255) has the molecular formula C50H65N7O10 and a molecular weight of 924.11 g/mol. Its IUPAC name is [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate.

Molecular Properties

• Compound Name: [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate
• PubChem CID: 88839255
• Molecular Formula: C50H65N7O10
• Molecular Weight: 924.11 g/mol
• Exact Mass: 923.48
• IUPAC Name: [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate
• SMILES: COc1ccc2[nH]cc(C(=O)OC3CC4CCC3C(C(=O)NC(=O)C3C5CCC(CC5OC(=O)c5c[nH]c6ccc(OC)cc56)C3C(=O)NCCCN(C)C)C4C(=O)NCCCN(C)C)c2c1
• InChI: InChI=1S/C50H65N7O10/c1-56(2)19-7-17-51-45(58)41-27-9-13-31(39(21-27)66-49(62)35-25-53-37-15-11-29(64-5)23-33(35)37)43(41)47(60)55-48(61)44-32-14-10-28(42(44)46(59)52-18-8-20-57(3)4)22-40(32)67-50(63)36-26-54-38-16-12-30(65-6)24-34(36)38/h11-12,15-16,23-28,31-32,39-44,53-54H,7-10,13-14,17-22H2,1-6H3,(H,51,58)(H,52,59)(H,55,60,61)
• InChIKey: RZSFYSGUOFLFBM-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 213.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.11
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate?

The IUPAC name of [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate (CID 88839255) is [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate.

What is the SMILES notation for [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate?

The canonical SMILES for [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate is COc1ccc2[nH]cc(C(=O)OC3CC4CCC3C(C(=O)NC(=O)C3C5CCC(CC5OC(=O)c5c[nH]c6ccc(OC)cc56)C3C(=O)NCCCN(C)C)C4C(=O)NCCCN(C)C)c2c1.

What is the InChIKey of [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate?

The InChIKey is RZSFYSGUOFLFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H65N7O10/c1-56(2)19-7-17-51-45(58)41-27-9-13-31(39(21-27)66-49(62)35-25-53-37-15-11-29(64-5)23-33(35)37)43(41)47(60)55-48(61)44-32-14-10-28(42(44)46(59)52-18-8-20-57(3)4)22-40(32)67-50(63)36-26-54-38-16-12-30(65-6)24-34(36)38/h11-12,15-16,23-28,31-32,39-44,53-54H,7-10,13-14,17-22H2,1-6H3,(H,51,58)(H,52,59)(H,55,60,61).

What are the key properties of [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate?

[5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate has a molecular weight of 924.11 g/mol, XLogP of 4.52, 18 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-(dimethylamino)propylcarbamoyl]-6-[[3-[3-(dimethylamino)propylcarbamoyl]-6-(5-methoxy-1H-indole-3-carbonyl)oxybicyclo[2.2.2]octane-2-carbonyl]carbamoyl]-2-bicyclo[2.2.2]octanyl] 5-methoxy-1H-indole-3-carboxylate is sourced from PubChem (CID 88839255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).