3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

C28H37N3O — CID 42804479

About 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide

3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 42804479) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
• PubChem CID: 42804479
• Molecular Formula: C28H37N3O
• Molecular Weight: 431.62 g/mol
• Exact Mass: 431.29
• IUPAC Name: 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
• SMILES: CCc1cccc2c(C(CC(=O)NCCN3CCCCC3)c3ccc(C)cc3C)c[nH]c12
• InChI: InChI=1S/C28H37N3O/c1-4-22-9-8-10-24-26(19-30-28(22)24)25(23-12-11-20(2)17-21(23)3)18-27(32)29-13-16-31-14-6-5-7-15-31/h8-12,17,19,25,30H,4-7,13-16,18H2,1-3H3,(H,29,32)
• InChIKey: JKSVKYCFZULFMI-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.62
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

The IUPAC name of 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide (CID 42804479) is 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide.

What is the SMILES notation for 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

The canonical SMILES for 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is CCc1cccc2c(C(CC(=O)NCCN3CCCCC3)c3ccc(C)cc3C)c[nH]c12.

What is the InChIKey of 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

The InChIKey is JKSVKYCFZULFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O/c1-4-22-9-8-10-24-26(19-30-28(22)24)25(23-12-11-20(2)17-21(23)3)18-27(32)29-13-16-31-14-6-5-7-15-31/h8-12,17,19,25,30H,4-7,13-16,18H2,1-3H3,(H,29,32).

What are the key properties of 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide?

3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 431.62 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 42804479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).