10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide

C56H66N6O4 — CID 161471783

About 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide

10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide (PubChem CID 161471783) has the molecular formula C56H66N6O4 and a molecular weight of 887.18 g/mol. Its IUPAC name is 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide.

Molecular Properties

• Compound Name: 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide
• PubChem CID: 161471783
• Molecular Formula: C56H66N6O4
• Molecular Weight: 887.18 g/mol
• Exact Mass: 886.51
• IUPAC Name: 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide
• SMILES: CNC(=O)CCCCCCC(=O)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.CNC(=O)CCCCCCC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
• InChI: InChI=1S/C29H35N3O2.C27H31N3O2/c1-19-28(22-13-8-10-15-25(22)31-19)24(29-20(2)32-26-16-11-9-14-23(26)29)18-21(33)12-6-4-5-7-17-27(34)30-3;1-28-27(32)15-5-3-2-4-10-19(31)16-22(23-17-29-25-13-8-6-11-20(23)25)24-18-30-26-14-9-7-12-21(24)26/h8-11,13-16,24,31-32H,4-7,12,17-18H2,1-3H3,(H,30,34);6-9,11-14,17-18,22,29-30H,2-5,10,15-16H2,1H3,(H,28,32)
• InChIKey: WDEMHCHRKYHKAC-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 155.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.18
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide?

The IUPAC name of 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide (CID 161471783) is 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide.

What is the SMILES notation for 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide?

The canonical SMILES for 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide is CNC(=O)CCCCCCC(=O)CC(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.CNC(=O)CCCCCCC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.

What is the InChIKey of 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide?

The InChIKey is WDEMHCHRKYHKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2.C27H31N3O2/c1-19-28(22-13-8-10-15-25(22)31-19)24(29-20(2)32-26-16-11-9-14-23(26)29)18-21(33)12-6-4-5-7-17-27(34)30-3;1-28-27(32)15-5-3-2-4-10-19(31)16-22(23-17-29-25-13-8-6-11-20(23)25)24-18-30-26-14-9-7-12-21(24)26/h8-11,13-16,24,31-32H,4-7,12,17-18H2,1-3H3,(H,30,34);6-9,11-14,17-18,22,29-30H,2-5,10,15-16H2,1H3,(H,28,32).

What are the key properties of 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide?

10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide has a molecular weight of 887.18 g/mol, XLogP of 12.27, 22 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-bis(1H-indol-3-yl)-N-methyl-8-oxodecanamide;N-methyl-10,10-bis(2-methyl-1H-indol-3-yl)-8-oxodecanamide is sourced from PubChem (CID 161471783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).