6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide

C22H43N5O5 — CID 121260417

About 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide

6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide (PubChem CID 121260417) has the molecular formula C22H43N5O5 and a molecular weight of 457.62 g/mol. Its IUPAC name is 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide.

Molecular Properties

• Compound Name: 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide
• PubChem CID: 121260417
• Molecular Formula: C22H43N5O5
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.33
• IUPAC Name: 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide
• SMILES: CC1CN(CCOCCOCCOCCNC(=O)CCCCC[C@H]2CC(=O)N[C@H]2C)NN1
• InChI: InChI=1S/C22H43N5O5/c1-18-17-27(26-25-18)9-11-31-13-15-32-14-12-30-10-8-23-21(28)7-5-3-4-6-20-16-22(29)24-19(20)2/h18-20,25-26H,3-17H2,1-2H3,(H,23,28)(H,24,29)/t18?,19-,20-/m0/s1
• InChIKey: CCMPSNBMAGRVQQ-YPJRHXLCSA-N
• XLogP: 0.34
• TPSA: 113.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide?

The IUPAC name of 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide (CID 121260417) is 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide.

What is the SMILES notation for 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide?

The canonical SMILES for 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide is CC1CN(CCOCCOCCOCCNC(=O)CCCCC[C@H]2CC(=O)N[C@H]2C)NN1.

What is the InChIKey of 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide?

The InChIKey is CCMPSNBMAGRVQQ-YPJRHXLCSA-N. The full InChI is InChI=1S/C22H43N5O5/c1-18-17-27(26-25-18)9-11-31-13-15-32-14-12-30-10-8-23-21(28)7-5-3-4-6-20-16-22(29)24-19(20)2/h18-20,25-26H,3-17H2,1-2H3,(H,23,28)(H,24,29)/t18?,19-,20-/m0/s1.

What are the key properties of 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide?

6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide has a molecular weight of 457.62 g/mol, XLogP of 0.34, 18 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2S,3S)-2-methyl-5-oxopyrrolidin-3-yl]-N-[2-[2-[2-[2-(4-methyltriazolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]hexanamide is sourced from PubChem (CID 121260417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).