15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide

C34H41N3O2 — CID 110072942

About 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide

15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide (PubChem CID 110072942) has the molecular formula C34H41N3O2 and a molecular weight of 523.72 g/mol. Its IUPAC name is 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide.

Molecular Properties

• Compound Name: 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
• PubChem CID: 110072942
• Molecular Formula: C34H41N3O2
• Molecular Weight: 523.72 g/mol
• Exact Mass: 523.32
• IUPAC Name: 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
• SMILES: Cc1ccc2c(CCNC(=O)c3ccc4c(c3)Cc3cccc(c3)CN(C)CCCCCO4)c(C)n(C)c2c1
• InChI: InChI=1S/C34H41N3O2/c1-24-11-13-31-30(25(2)37(4)32(31)19-24)15-16-35-34(38)28-12-14-33-29(22-28)21-26-9-8-10-27(20-26)23-36(3)17-6-5-7-18-39-33/h8-14,19-20,22H,5-7,15-18,21,23H2,1-4H3,(H,35,38)
• InChIKey: JEURSMAULRBVFQ-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.72
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

The IUPAC name of 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide (CID 110072942) is 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide.

What is the SMILES notation for 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

The canonical SMILES for 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide is Cc1ccc2c(CCNC(=O)c3ccc4c(c3)Cc3cccc(c3)CN(C)CCCCCO4)c(C)n(C)c2c1.

What is the InChIKey of 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

The InChIKey is JEURSMAULRBVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O2/c1-24-11-13-31-30(25(2)37(4)32(31)19-24)15-16-35-34(38)28-12-14-33-29(22-28)21-26-9-8-10-27(20-26)23-36(3)17-6-5-7-18-39-33/h8-14,19-20,22H,5-7,15-18,21,23H2,1-4H3,(H,35,38).

What are the key properties of 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide?

15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide has a molecular weight of 523.72 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-N-[2-(1,2,6-trimethylindol-3-yl)ethyl]-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide is sourced from PubChem (CID 110072942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).