[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C24H26N4O8 — CID 124579905

About [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 124579905) has the molecular formula C24H26N4O8 and a molecular weight of 498.49 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
• PubChem CID: 124579905
• Molecular Formula: C24H26N4O8
• Molecular Weight: 498.49 g/mol
• Exact Mass: 498.18
• IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
• SMILES: COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O
• InChI: InChI=1S/C24H26N4O8/c1-14(29)25-16-7-9-17(10-8-16)26-20(30)13-36-24(33)15-11-21(31)28(12-15)27-23(32)22-18(34-2)5-4-6-19(22)35-3/h4-10,15H,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t15-/m0/s1
• InChIKey: UWYIDUYPLMFPRG-HNNXBMFYSA-N
• XLogP: 1.34
• TPSA: 152.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.49
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?

The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 124579905) is [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?

The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is COc1cccc(OC)c1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O.

What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?

The InChIKey is UWYIDUYPLMFPRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26N4O8/c1-14(29)25-16-7-9-17(10-8-16)26-20(30)13-36-24(33)15-11-21(31)28(12-15)27-23(32)22-18(34-2)5-4-6-19(22)35-3/h4-10,15H,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t15-/m0/s1.

What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?

[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 498.49 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 124579905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).