3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide

C30H33FN2O4 — CID 4522568

About 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide

3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 4522568) has the molecular formula C30H33FN2O4 and a molecular weight of 504.60 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
• PubChem CID: 4522568
• Molecular Formula: C30H33FN2O4
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.24
• IUPAC Name: 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
• SMILES: COCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12
• InChI: InChI=1S/C30H33FN2O4/c1-35-14-6-13-32-30(34)18-27(22-15-24(36-2)17-25(16-22)37-3)28-20-33(29-8-5-4-7-26(28)29)19-21-9-11-23(31)12-10-21/h4-5,7-12,15-17,20,27H,6,13-14,18-19H2,1-3H3,(H,32,34)
• InChIKey: RPQXDIQQBVNKOW-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 61.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide?

The IUPAC name of 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide (CID 4522568) is 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide.

What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide?

The canonical SMILES for 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CC(c1cc(OC)cc(OC)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12.

What is the InChIKey of 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide?

The InChIKey is RPQXDIQQBVNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN2O4/c1-35-14-6-13-32-30(34)18-27(22-15-24(36-2)17-25(16-22)37-3)28-20-33(29-8-5-4-7-26(28)29)19-21-9-11-23(31)12-10-21/h4-5,7-12,15-17,20,27H,6,13-14,18-19H2,1-3H3,(H,32,34).

What are the key properties of 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide?

3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 504.60 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 4522568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).