2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide

C₂₀H₂₆BrN₃O₂ — CID 155531536

About 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide

2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide (PubChem CID 155531536) has the molecular formula C₂₀H₂₆BrN₃O₂ and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

• Compound Name: 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
• PubChem CID: 155531536
• Molecular Formula: C₂₀H₂₆BrN₃O₂
• Molecular Weight: 420.35 g/mol
• Exact Mass: 419.12
• IUPAC Name: 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
• SMILES: Cc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)NC1CC1
• InChI: InChI=1S/C20H26BrN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25)
• InChIKey: QCNMCJYNIRVNST-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.35
LogP ≤ 5	2.87
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 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?

The IUPAC name of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide (CID 155531536) is 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide.

What is the SMILES notation for 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?

The canonical SMILES for 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide is Cc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)NC1CC1.

What is the InChIKey of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?

The InChIKey is QCNMCJYNIRVNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25).

What are the key properties of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?

2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide has a molecular weight of 420.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 155531536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155531536 — identifiers, structure, computed properties (public domain)

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