3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide

C24H28N4O2 — CID 163072056

About 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide

3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide (PubChem CID 163072056) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide
• PubChem CID: 163072056
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide
• SMILES: O=C(CCc1c[nH]c2ccccc12)NCCN1CC2CC(C1)c1cccc(=O)n1C2
• InChI: InChI=1S/C24H28N4O2/c29-23(9-8-18-13-26-21-5-2-1-4-20(18)21)25-10-11-27-14-17-12-19(16-27)22-6-3-7-24(30)28(22)15-17/h1-7,13,17,19,26H,8-12,14-16H2,(H,25,29)
• InChIKey: LDCYNOCGHQFGMR-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 70.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide?

The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide (CID 163072056) is 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide.

What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide?

The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCCN1CC2CC(C1)c1cccc(=O)n1C2.

What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide?

The InChIKey is LDCYNOCGHQFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(9-8-18-13-26-21-5-2-1-4-20(18)21)25-10-11-27-14-17-12-19(16-27)22-6-3-7-24(30)28(22)15-17/h1-7,13,17,19,26H,8-12,14-16H2,(H,25,29).

What are the key properties of 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide?

3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]propanamide is sourced from PubChem (CID 163072056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).