(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide

C28H31N3O3 — CID 93125185

About (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide

(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 93125185) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 93125185
• Molecular Formula: C28H31N3O3
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.24
• IUPAC Name: (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3cccc(OC)c3OC)c[nH]c12
• InChI: InChI=1S/C28H31N3O3/c1-4-19-9-7-11-21-24(18-31-27(19)21)23(22-12-8-13-25(33-2)28(22)34-3)17-26(32)30-16-14-20-10-5-6-15-29-20/h5-13,15,18,23,31H,4,14,16-17H2,1-3H3,(H,30,32)/t23-/m0/s1
• InChIKey: AULAMGMZZLXLKO-QHCPKHFHSA-N
• XLogP: 5.02
• TPSA: 76.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 93125185) is (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is CCc1cccc2c([C@@H](CC(=O)NCCc3ccccn3)c3cccc(OC)c3OC)c[nH]c12.

What is the InChIKey of (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is AULAMGMZZLXLKO-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-4-19-9-7-11-21-24(18-31-27(19)21)23(22-12-8-13-25(33-2)28(22)34-3)17-26(32)30-16-14-20-10-5-6-15-29-20/h5-13,15,18,23,31H,4,14,16-17H2,1-3H3,(H,30,32)/t23-/m0/s1.

What are the key properties of (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?

(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 457.57 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 93125185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).