2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide

C24H34N2O6 — CID 42192325

About 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide

2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide (PubChem CID 42192325) has the molecular formula C24H34N2O6 and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide
• PubChem CID: 42192325
• Molecular Formula: C24H34N2O6
• Molecular Weight: 446.54 g/mol
• Exact Mass: 446.24
• IUPAC Name: 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide
• SMILES: COCCN1C(=O)C[C@@](CC(=O)N(C)CC[C@@H]2CCCCO2)(c2ccccc2OC)C1=O
• InChI: InChI=1S/C24H34N2O6/c1-25(12-11-18-8-6-7-14-32-18)21(27)16-24(19-9-4-5-10-20(19)31-3)17-22(28)26(23(24)29)13-15-30-2/h4-5,9-10,18H,6-8,11-17H2,1-3H3/t18-,24-/m0/s1
• InChIKey: XJONFWMEXITOQY-UUOWRZLLSA-N
• XLogP: 2.15
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.54
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide?

The IUPAC name of 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide (CID 42192325) is 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide.

What is the SMILES notation for 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide?

The canonical SMILES for 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide is COCCN1C(=O)C[C@@](CC(=O)N(C)CC[C@@H]2CCCCO2)(c2ccccc2OC)C1=O.

What is the InChIKey of 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide?

The InChIKey is XJONFWMEXITOQY-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H34N2O6/c1-25(12-11-18-8-6-7-14-32-18)21(27)16-24(19-9-4-5-10-20(19)31-3)17-22(28)26(23(24)29)13-15-30-2/h4-5,9-10,18H,6-8,11-17H2,1-3H3/t18-,24-/m0/s1.

What are the key properties of 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide?

2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide has a molecular weight of 446.54 g/mol, XLogP of 2.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]acetamide is sourced from PubChem (CID 42192325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).