(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide

C26H27N3O3 — CID 40847514

About (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide

(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 40847514) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 40847514
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
• SMILES: Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1
• InChI: InChI=1S/C26H27N3O3/c1-16-11-17(2)25(18(3)12-16)28-23(30)14-27-26(32)20-13-24(31)29(15-20)22-10-6-8-19-7-4-5-9-21(19)22/h4-12,20H,13-15H2,1-3H3,(H,27,32)(H,28,30)/t20-/m0/s1
• InChIKey: PATYYKAKIRGABY-FQEVSTJZSA-N
• XLogP: 3.87
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide (CID 40847514) is (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1.

What is the InChIKey of (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?

The InChIKey is PATYYKAKIRGABY-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16-11-17(2)25(18(3)12-16)28-23(30)14-27-26(32)20-13-24(31)29(15-20)22-10-6-8-19-7-4-5-9-21(19)22/h4-12,20H,13-15H2,1-3H3,(H,27,32)(H,28,30)/t20-/m0/s1.

What are the key properties of (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide?

(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 40847514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).