5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C28H29NO6 — CID 67076274

About 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 67076274) has the molecular formula C28H29NO6 and a molecular weight of 475.54 g/mol. Its IUPAC name is 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
• PubChem CID: 67076274
• Molecular Formula: C28H29NO6
• Molecular Weight: 475.54 g/mol
• Exact Mass: 475.20
• IUPAC Name: 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
• SMILES: COc1ccc2c(c1)CC(NC(=O)c1ccc(OC)c(OCCc3cccc(C)c3)c1)(C(=O)O)C2
• InChI: InChI=1S/C28H29NO6/c1-18-5-4-6-19(13-18)11-12-35-25-15-20(8-10-24(25)34-3)26(30)29-28(27(31)32)16-21-7-9-23(33-2)14-22(21)17-28/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,29,30)(H,31,32)
• InChIKey: KWNISEFNUJJLHW-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 94.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.54
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The IUPAC name of 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 67076274) is 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

What is the SMILES notation for 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The canonical SMILES for 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc2c(c1)CC(NC(=O)c1ccc(OC)c(OCCc3cccc(C)c3)c1)(C(=O)O)C2.

What is the InChIKey of 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The InChIKey is KWNISEFNUJJLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6/c1-18-5-4-6-19(13-18)11-12-35-25-15-20(8-10-24(25)34-3)26(30)29-28(27(31)32)16-21-7-9-23(33-2)14-22(21)17-28/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,29,30)(H,31,32).

What are the key properties of 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?

5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 475.54 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 67076274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).