2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate

C24H46N2O8S — CID 142542075

About 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate

2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate (PubChem CID 142542075) has the molecular formula C24H46N2O8S and a molecular weight of 522.71 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
• PubChem CID: 142542075
• Molecular Formula: C24H46N2O8S
• Molecular Weight: 522.71 g/mol
• Exact Mass: 522.30
• IUPAC Name: 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
• SMILES: CC(C)CC(=O)NCCOCCOCCOCCOCCOCCOC(=O)NC1CCC(S)CC1
• InChI: InChI=1S/C24H46N2O8S/c1-20(2)19-23(27)25-7-8-29-9-10-30-11-12-31-13-14-32-15-16-33-17-18-34-24(28)26-21-3-5-22(35)6-4-21/h20-22,35H,3-19H2,1-2H3,(H,25,27)(H,26,28)
• InChIKey: ZQEIRRSNIWWDHJ-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 113.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.71
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?

The IUPAC name of 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate (CID 142542075) is 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate is CC(C)CC(=O)NCCOCCOCCOCCOCCOCCOC(=O)NC1CCC(S)CC1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?

The InChIKey is ZQEIRRSNIWWDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O8S/c1-20(2)19-23(27)25-7-8-29-9-10-30-11-12-31-13-14-32-15-16-33-17-18-34-24(28)26-21-3-5-22(35)6-4-21/h20-22,35H,3-19H2,1-2H3,(H,25,27)(H,26,28).

What are the key properties of 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?

2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate has a molecular weight of 522.71 g/mol, XLogP of 2.20, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate is sourced from PubChem (CID 142542075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).