[2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C24H27N3O7 — CID 124580270

About [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 124580270) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
• PubChem CID: 124580270
• Molecular Formula: C24H27N3O7
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.18
• IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
• SMILES: COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O
• InChI: InChI=1S/C24H27N3O7/c1-14-8-9-15(2)17(10-14)25-20(28)13-34-24(31)16-11-21(29)27(12-16)26-23(30)22-18(32-3)6-5-7-19(22)33-4/h5-10,16H,11-13H2,1-4H3,(H,25,28)(H,26,30)/t16-/m1/s1
• InChIKey: ZEPPXEAMZBBKLK-MRXNPFEDSA-N
• XLogP: 2.00
• TPSA: 123.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 124580270) is [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

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

The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is COc1cccc(OC)c1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O.

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

The InChIKey is ZEPPXEAMZBBKLK-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-14-8-9-15(2)17(10-14)25-20(28)13-34-24(31)16-11-21(29)27(12-16)26-23(30)22-18(32-3)6-5-7-19(22)33-4/h5-10,16H,11-13H2,1-4H3,(H,25,28)(H,26,30)/t16-/m1/s1.

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

[2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 469.49 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,5-dimethylanilino)-2-oxoethyl] (3R)-1-[(2,6-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 124580270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).