1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C24H27N3O4 — CID 55597121

About 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55597121) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 55597121
• Molecular Formula: C24H27N3O4
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.20
• IUPAC Name: 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
• SMILES: COc1ccc(C)cc1N1CC(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1=O
• InChI: InChI=1S/C24H27N3O4/c1-16-8-9-21(31-2)20(12-16)27-15-18(14-22(27)28)23(29)25-19-7-5-6-17(13-19)24(30)26-10-3-4-11-26/h5-9,12-13,18H,3-4,10-11,14-15H2,1-2H3,(H,25,29)
• InChIKey: YEGFFXCZELUOHK-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 55597121) is 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is COc1ccc(C)cc1N1CC(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1=O.

What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?

The InChIKey is YEGFFXCZELUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-8-9-21(31-2)20(12-16)27-15-18(14-22(27)28)23(29)25-19-7-5-6-17(13-19)24(30)26-10-3-4-11-26/h5-9,12-13,18H,3-4,10-11,14-15H2,1-2H3,(H,25,29).

What are the key properties of 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55597121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).