2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide

C33H38N6O2 — CID 157495605

About 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide

2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide (PubChem CID 157495605) has the molecular formula C33H38N6O2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide
• PubChem CID: 157495605
• Molecular Formula: C33H38N6O2
• Molecular Weight: 550.71 g/mol
• Exact Mass: 550.31
• IUPAC Name: 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide
• SMILES: CN(C)CCCNC(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)NCCN(C)C)cc4C3)cc1)=N2
• InChI: InChI=1S/C33H38N6O2/c1-38(2)16-5-14-34-32(40)24-10-12-28-26(18-24)20-30(36-28)22-6-8-23(9-7-22)31-21-27-19-25(11-13-29(27)37-31)33(41)35-15-17-39(3)4/h6-13,18-19H,5,14-17,20-21H2,1-4H3,(H,34,40)(H,35,41)
• InChIKey: ADPRZUTWFIXOAQ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 89.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.71
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide?

The IUPAC name of 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide (CID 157495605) is 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide.

What is the SMILES notation for 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide?

The canonical SMILES for 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide is CN(C)CCCNC(=O)c1ccc2c(c1)CC(c1ccc(C3=Nc4ccc(C(=O)NCCN(C)C)cc4C3)cc1)=N2.

What is the InChIKey of 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide?

The InChIKey is ADPRZUTWFIXOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O2/c1-38(2)16-5-14-34-32(40)24-10-12-28-26(18-24)20-30(36-28)22-6-8-23(9-7-22)31-21-27-19-25(11-13-29(27)37-31)33(41)35-15-17-39(3)4/h6-13,18-19H,5,14-17,20-21H2,1-4H3,(H,34,40)(H,35,41).

What are the key properties of 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide?

2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide has a molecular weight of 550.71 g/mol, XLogP of 4.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[2-(dimethylamino)ethylcarbamoyl]-3H-indol-2-yl]phenyl]-N-[3-(dimethylamino)propyl]-3H-indole-5-carboxamide is sourced from PubChem (CID 157495605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).