8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C59H61F2N5O6 — CID 123286718

About 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (PubChem CID 123286718) has the molecular formula C59H61F2N5O6 and a molecular weight of 974.16 g/mol. Its IUPAC name is 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

• Compound Name: 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
• PubChem CID: 123286718
• Molecular Formula: C59H61F2N5O6
• Molecular Weight: 974.16 g/mol
• Exact Mass: 973.46
• IUPAC Name: 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
• SMILES: CCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(-c3cccc(C(=O)N(CCCCc4cn(CC)c5c(OC(C)C)cc6c(C(=O)NC)c(-c7ccc(F)cc7)oc6c45)CC(C)(C)C)c3)c21
• InChI: InChI=1S/C59H61F2N5O6/c1-10-64-28-26-42-50(64)43(30-44-48(56(67)62-8)52(71-54(42)44)35-18-22-40(60)23-19-35)37-16-14-17-38(29-37)58(69)66(33-59(5,6)7)27-13-12-15-39-32-65(11-2)51-46(70-34(3)4)31-45-49(57(68)63-9)53(72-55(45)47(39)51)36-20-24-41(61)25-21-36/h14,16-26,28-32,34H,10-13,15,27,33H2,1-9H3,(H,62,67)(H,63,68)
• InChIKey: ZMLUKWPVFUTYGU-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 123.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.16
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?

The IUPAC name of 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 123286718) is 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

What is the SMILES notation for 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?

The canonical SMILES for 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CCn1ccc2c3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc(-c3cccc(C(=O)N(CCCCc4cn(CC)c5c(OC(C)C)cc6c(C(=O)NC)c(-c7ccc(F)cc7)oc6c45)CC(C)(C)C)c3)c21.

What is the InChIKey of 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?

The InChIKey is ZMLUKWPVFUTYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H61F2N5O6/c1-10-64-28-26-42-50(64)43(30-44-48(56(67)62-8)52(71-54(42)44)35-18-22-40(60)23-19-35)37-16-14-17-38(29-37)58(69)66(33-59(5,6)7)27-13-12-15-39-32-65(11-2)51-46(70-34(3)4)31-45-49(57(68)63-9)53(72-55(45)47(39)51)36-20-24-41(61)25-21-36/h14,16-26,28-32,34H,10-13,15,27,33H2,1-9H3,(H,62,67)(H,63,68).

What are the key properties of 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?

8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide has a molecular weight of 974.16 g/mol, XLogP of 13.43, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[2,2-dimethylpropyl-[3-[6-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-e]indol-5-yl]benzoyl]amino]butyl]-6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 123286718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).