1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C27H30N4O4 — CID 20915976

About 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915976) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• PubChem CID: 20915976
• Molecular Formula: C27H30N4O4
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.23
• IUPAC Name: 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• SMILES: CCn1c(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c(N2CCCC2=O)c2cc(OC)ccc21
• InChI: InChI=1S/C27H30N4O4/c1-4-30-23-10-8-19(35-3)15-21(23)25(31-13-5-6-24(31)32)26(30)27(33)28-12-11-17-16-29-22-9-7-18(34-2)14-20(17)22/h7-10,14-16,29H,4-6,11-13H2,1-3H3,(H,28,33)
• InChIKey: DCAVEHAXTWWOLR-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 88.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The IUPAC name of 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915976) is 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

What is the SMILES notation for 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The canonical SMILES for 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCn1c(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c(N2CCCC2=O)c2cc(OC)ccc21.

What is the InChIKey of 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The InChIKey is DCAVEHAXTWWOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-4-30-23-10-8-19(35-3)15-21(23)25(31-13-5-6-24(31)32)26(30)27(33)28-12-11-17-16-29-22-9-7-18(34-2)14-20(17)22/h7-10,14-16,29H,4-6,11-13H2,1-3H3,(H,28,33).

What are the key properties of 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).