N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C24H27N3O5 — CID 20915872

About N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915872) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• PubChem CID: 20915872
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.20
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
• SMILES: COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccc(OC)c(OC)c1)n2C
• InChI: InChI=1S/C24H27N3O5/c1-26-18-9-8-16(30-2)13-17(18)22(27-11-5-6-21(27)28)23(26)24(29)25-14-15-7-10-19(31-3)20(12-15)32-4/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,25,29)
• InChIKey: LJNVHMHSBUNBAK-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 82.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915872) is N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCc1ccc(OC)c(OC)c1)n2C.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

The InChIKey is LJNVHMHSBUNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-26-18-9-8-16(30-2)13-17(18)22(27-11-5-6-21(27)28)23(26)24(29)25-14-15-7-10-19(31-3)20(12-15)32-4/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,25,29).

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?

N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).