1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide

C24H28N2O4 — CID 60600086

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 60600086) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 60600086
• Molecular Formula: C24H28N2O4
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.20
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1cccc(C(C)(C)CNC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1
• InChI: InChI=1S/C24H28N2O4/c1-16-5-4-6-18(11-16)24(2,3)15-25-23(28)17-12-22(27)26(14-17)19-7-8-20-21(13-19)30-10-9-29-20/h4-8,11,13,17H,9-10,12,14-15H2,1-3H3,(H,25,28)
• InChIKey: KXFZGXVVFSFNCJ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 60600086) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C(C)(C)CNC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is KXFZGXVVFSFNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-5-4-6-18(11-16)24(2,3)15-25-23(28)17-12-22(27)26(14-17)19-7-8-20-21(13-19)30-10-9-29-20/h4-8,11,13,17H,9-10,12,14-15H2,1-3H3,(H,25,28).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60600086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).