2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C24H29ClN4O3 — CID 42167233

About 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 42167233) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
• PubChem CID: 42167233
• Molecular Formula: C24H29ClN4O3
• Molecular Weight: 456.97 g/mol
• Exact Mass: 456.19
• IUPAC Name: 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
• SMILES: CN(C)CCN1C(=O)C[C@](CC(=O)N(C)CCc2ccccn2)(c2ccccc2Cl)C1=O
• InChI: InChI=1S/C24H29ClN4O3/c1-27(2)14-15-29-22(31)17-24(23(29)32,19-9-4-5-10-20(19)25)16-21(30)28(3)13-11-18-8-6-7-12-26-18/h4-10,12H,11,13-17H2,1-3H3/t24-/m1/s1
• InChIKey: WJJMZQGOMWKPKS-XMMPIXPASA-N
• XLogP: 2.38
• TPSA: 73.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.97
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?

The IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 42167233) is 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

What is the SMILES notation for 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?

The canonical SMILES for 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CN(C)CCN1C(=O)C[C@](CC(=O)N(C)CCc2ccccn2)(c2ccccc2Cl)C1=O.

What is the InChIKey of 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?

The InChIKey is WJJMZQGOMWKPKS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-27(2)14-15-29-22(31)17-24(23(29)32,19-9-4-5-10-20(19)25)16-21(30)28(3)13-11-18-8-6-7-12-26-18/h4-10,12H,11,13-17H2,1-3H3/t24-/m1/s1.

What are the key properties of 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?

2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 456.97 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 42167233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).