3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide

C29H32N2O5 — CID 42774379

About 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide

3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 42774379) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
• PubChem CID: 42774379
• Molecular Formula: C29H32N2O5
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.23
• IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
• SMILES: COc1cc(OC)cc(C(CC(=O)NCCc2ccc(OC)c(OC)c2)c2c[nH]c3ccccc23)c1
• InChI: InChI=1S/C29H32N2O5/c1-33-21-14-20(15-22(16-21)34-2)24(25-18-31-26-8-6-5-7-23(25)26)17-29(32)30-12-11-19-9-10-27(35-3)28(13-19)36-4/h5-10,13-16,18,24,31H,11-12,17H2,1-4H3,(H,30,32)
• InChIKey: UVFTYVRRKGXORL-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 81.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?

The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 42774379) is 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide.

What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?

The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide is COc1cc(OC)cc(C(CC(=O)NCCc2ccc(OC)c(OC)c2)c2c[nH]c3ccccc23)c1.

What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?

The InChIKey is UVFTYVRRKGXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-33-21-14-20(15-22(16-21)34-2)24(25-18-31-26-8-6-5-7-23(25)26)17-29(32)30-12-11-19-9-10-27(35-3)28(13-19)36-4/h5-10,13-16,18,24,31H,11-12,17H2,1-4H3,(H,30,32).

What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide?

3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 488.58 g/mol, XLogP of 5.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 42774379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).