1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C21H25N3O6 — CID 4871430

About 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4871430) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 4871430
• Molecular Formula: C21H25N3O6
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.17
• IUPAC Name: 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(N2CC(C(=O)NC(C)C(=O)NCc3ccco3)CC2=O)c(OC)c1
• InChI: InChI=1S/C21H25N3O6/c1-13(20(26)22-11-16-5-4-8-30-16)23-21(27)14-9-19(25)24(12-14)17-7-6-15(28-2)10-18(17)29-3/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,22,26)(H,23,27)
• InChIKey: KCSARAIGCRAKMY-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 110.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 4871430) is 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC(C)C(=O)NCc3ccco3)CC2=O)c(OC)c1.

What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is KCSARAIGCRAKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-13(20(26)22-11-16-5-4-8-30-16)23-21(27)14-9-19(25)24(12-14)17-7-6-15(28-2)10-18(17)29-3/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,22,26)(H,23,27).

What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide?

1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethoxyphenyl)-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4871430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).