(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C24H29BrN2O5 — CID 92696010

About (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92696010) has the molecular formula C24H29BrN2O5 and a molecular weight of 505.41 g/mol. Its IUPAC name is (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 92696010
• Molecular Formula: C24H29BrN2O5
• Molecular Weight: 505.41 g/mol
• Exact Mass: 504.13
• IUPAC Name: (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
• SMILES: COc1ccc(Br)cc1CN1C(=O)CC[C@]1(C)C(=O)NCCc1ccc(OC)c(OC)c1
• InChI: InChI=1S/C24H29BrN2O5/c1-24(23(29)26-12-10-16-5-7-20(31-3)21(13-16)32-4)11-9-22(28)27(24)15-17-14-18(25)6-8-19(17)30-2/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,29)/t24-/m1/s1
• InChIKey: UZSTZMWPNXWFKM-XMMPIXPASA-N
• XLogP: 3.71
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.41
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92696010) is (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(Br)cc1CN1C(=O)CC[C@]1(C)C(=O)NCCc1ccc(OC)c(OC)c1.

What is the InChIKey of (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?

The InChIKey is UZSTZMWPNXWFKM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29BrN2O5/c1-24(23(29)26-12-10-16-5-7-20(31-3)21(13-16)32-4)11-9-22(28)27(24)15-17-14-18(25)6-8-19(17)30-2/h5-8,13-14H,9-12,15H2,1-4H3,(H,26,29)/t24-/m1/s1.

What are the key properties of (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?

(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 505.41 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92696010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).