[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate

C24H45N3O11 — CID 162133133

About [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate

[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate (PubChem CID 162133133) has the molecular formula C24H45N3O11 and a molecular weight of 551.63 g/mol. Its IUPAC name is [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate.

Molecular Properties

• Compound Name: [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
• PubChem CID: 162133133
• Molecular Formula: C24H45N3O11
• Molecular Weight: 551.63 g/mol
• Exact Mass: 551.31
• IUPAC Name: [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
• SMILES: CNC(=O)OCC(COC(=O)NC)OCCCC(=O)NCCOCCOCCOCCOCCCC(C)=O
• InChI: InChI=1S/C24H45N3O11/c1-20(28)6-4-9-32-12-14-34-16-17-35-15-13-33-11-8-27-22(29)7-5-10-36-21(18-37-23(30)25-2)19-38-24(31)26-3/h21H,4-19H2,1-3H3,(H,25,30)(H,26,31)(H,27,29)
• InChIKey: LYWIVRWDELPART-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 168.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.63
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate?

The IUPAC name of [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate (CID 162133133) is [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate.

What is the SMILES notation for [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate?

The canonical SMILES for [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate is CNC(=O)OCC(COC(=O)NC)OCCCC(=O)NCCOCCOCCOCCOCCCC(C)=O.

What is the InChIKey of [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate?

The InChIKey is LYWIVRWDELPART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O11/c1-20(28)6-4-9-32-12-14-34-16-17-35-15-13-33-11-8-27-22(29)7-5-10-36-21(18-37-23(30)25-2)19-38-24(31)26-3/h21H,4-19H2,1-3H3,(H,25,30)(H,26,31)(H,27,29).

What are the key properties of [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate?

[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate has a molecular weight of 551.63 g/mol, XLogP of 0.42, 25 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate is sourced from PubChem (CID 162133133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).