3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

C31H37N3O4 — CID 3665519

About 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 3665519) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
• PubChem CID: 3665519
• Molecular Formula: C31H37N3O4
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.28
• IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
• SMILES: CCCCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cnc2c(OCc3ccccc3)cccn12
• InChI: InChI=1S/C31H37N3O4/c1-4-5-6-10-15-32-30(35)20-27(24-17-25(36-2)19-26(18-24)37-3)28-21-33-31-29(14-11-16-34(28)31)38-22-23-12-8-7-9-13-23/h7-9,11-14,16-19,21,27H,4-6,10,15,20,22H2,1-3H3,(H,32,35)
• InChIKey: UEURKNVNLFLNNC-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 3665519) is 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is CCCCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cnc2c(OCc3ccccc3)cccn12.

What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

The InChIKey is UEURKNVNLFLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-4-5-6-10-15-32-30(35)20-27(24-17-25(36-2)19-26(18-24)37-3)28-21-33-31-29(14-11-16-34(28)31)38-22-23-12-8-7-9-13-23/h7-9,11-14,16-19,21,27H,4-6,10,15,20,22H2,1-3H3,(H,32,35).

What are the key properties of 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 515.65 g/mol, XLogP of 6.15, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 3665519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).