1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C27H37N3O4 — CID 43011850

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43011850) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 43011850
• Molecular Formula: C27H37N3O4
• Molecular Weight: 467.61 g/mol
• Exact Mass: 467.28
• IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CCc1ccc(C(CNC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)N(C)C)cc1
• InChI: InChI=1S/C27H37N3O4/c1-6-19-7-10-21(11-8-19)23(29(2)3)17-28-27(32)22-16-26(31)30(18-22)14-13-20-9-12-24(33-4)25(15-20)34-5/h7-12,15,22-23H,6,13-14,16-18H2,1-5H3,(H,28,32)
• InChIKey: DSAOKEHWVRJBCI-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.61
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 43011850) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(C(CNC(=O)C2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)N(C)C)cc1.

What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is DSAOKEHWVRJBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4/c1-6-19-7-10-21(11-8-19)23(29(2)3)17-28-27(32)22-16-26(31)30(18-22)14-13-20-9-12-24(33-4)25(15-20)34-5/h7-12,15,22-23H,6,13-14,16-18H2,1-5H3,(H,28,32).

What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 3.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43011850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).