2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate

C38H74N4O14 — CID 176880518

About 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate

2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate (PubChem CID 176880518) has the molecular formula C38H74N4O14 and a molecular weight of 811.02 g/mol. Its IUPAC name is 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate.

Molecular Properties

• Compound Name: 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
• PubChem CID: 176880518
• Molecular Formula: C38H74N4O14
• Molecular Weight: 811.02 g/mol
• Exact Mass: 810.52
• IUPAC Name: 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
• SMILES: COCCOCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOCCOCCOCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOC
• InChI: InChI=1S/C38H74N4O14/c1-39(2)13-7-15-41(17-9-35(43)53-31-22-48-6)18-11-37(45)55-33-29-51-26-24-50-25-27-52-30-34-56-38(46)12-20-42(16-8-14-40(3)4)19-10-36(44)54-32-28-49-23-21-47-5/h7-34H2,1-6H3
• InChIKey: FBZLOCWZAWZOHN-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 173.54 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.02
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate?

The IUPAC name of 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate (CID 176880518) is 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate.

What is the SMILES notation for 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate?

The canonical SMILES for 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate is COCCOCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOCCOCCOCCOC(=O)CCN(CCCN(C)C)CCC(=O)OCCOC.

What is the InChIKey of 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate?

The InChIKey is FBZLOCWZAWZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74N4O14/c1-39(2)13-7-15-41(17-9-35(43)53-31-22-48-6)18-11-37(45)55-33-29-51-26-24-50-25-27-52-30-34-56-38(46)12-20-42(16-8-14-40(3)4)19-10-36(44)54-32-28-49-23-21-47-5/h7-34H2,1-6H3.

What are the key properties of 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate?

2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate has a molecular weight of 811.02 g/mol, XLogP of 0.59, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate is sourced from PubChem (CID 176880518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).