3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid

C24H25N3O8 — CID 90485752

About 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid

3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid (PubChem CID 90485752) has the molecular formula C24H25N3O8 and a molecular weight of 483.48 g/mol. Its IUPAC name is 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid.

Molecular Properties

• Compound Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid
• PubChem CID: 90485752
• Molecular Formula: C24H25N3O8
• Molecular Weight: 483.48 g/mol
• Exact Mass: 483.16
• IUPAC Name: 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid
• SMILES: COc1cccc(N2C(=O)CC(NCCc3c[nH]c4ccc(OC)cc34)C2=O)c1.O=C(O)C(=O)O
• InChI: InChI=1S/C22H23N3O4.C2H2O4/c1-28-16-5-3-4-15(10-16)25-21(26)12-20(22(25)27)23-9-8-14-13-24-19-7-6-17(29-2)11-18(14)19;3-1(4)2(5)6/h3-7,10-11,13,20,23-24H,8-9,12H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: XEWCUWCUKUSDQA-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 158.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.48
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid?

The IUPAC name of 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid (CID 90485752) is 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid.

What is the SMILES notation for 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid?

The canonical SMILES for 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid is COc1cccc(N2C(=O)CC(NCCc3c[nH]c4ccc(OC)cc34)C2=O)c1.O=C(O)C(=O)O.

What is the InChIKey of 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid?

The InChIKey is XEWCUWCUKUSDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4.C2H2O4/c1-28-16-5-3-4-15(10-16)25-21(26)12-20(22(25)27)23-9-8-14-13-24-19-7-6-17(29-2)11-18(14)19;3-1(4)2(5)6/h3-7,10-11,13,20,23-24H,8-9,12H2,1-2H3;(H,3,4)(H,5,6).

What are the key properties of 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid?

3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid has a molecular weight of 483.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid is sourced from PubChem (CID 90485752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).