(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate

C39H70N4O18 — CID 91362399

About (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate

(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate (PubChem CID 91362399) has the molecular formula C39H70N4O18 and a molecular weight of 883.00 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate
• PubChem CID: 91362399
• Molecular Formula: C39H70N4O18
• Molecular Weight: 883.00 g/mol
• Exact Mass: 882.47
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate
• SMILES: CCOCCOCC(COCC)OCC(=O)NCCOCCOCC(COCCOCCNC(=O)COC(CC)COCC)OCC(=O)NCCC(=O)On1c(O)ccc1O
• InChI: InChI=1S/C39H70N4O18/c1-5-31(23-51-7-3)58-28-35(45)41-13-15-53-18-21-56-26-33(60-29-34(44)40-12-11-39(49)61-43-37(47)9-10-38(43)48)27-57-22-19-54-16-14-42-36(46)30-59-32(24-52-8-4)25-55-20-17-50-6-2/h9-10,31-33,47-48H,5-8,11-30H2,1-4H3,(H,40,44)(H,41,45)(H,42,46)
• InChIKey: CQFKGCBHNVWCEN-UHFFFAOYSA-N
• XLogP: -0.65
• TPSA: 260.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 42
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.00
LogP ≤ 5	-0.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate (CID 91362399) is (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate is CCOCCOCC(COCC)OCC(=O)NCCOCCOCC(COCCOCCNC(=O)COC(CC)COCC)OCC(=O)NCCC(=O)On1c(O)ccc1O.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate?

The InChIKey is CQFKGCBHNVWCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H70N4O18/c1-5-31(23-51-7-3)58-28-35(45)41-13-15-53-18-21-56-26-33(60-29-34(44)40-12-11-39(49)61-43-37(47)9-10-38(43)48)27-57-22-19-54-16-14-42-36(46)30-59-32(24-52-8-4)25-55-20-17-50-6-2/h9-10,31-33,47-48H,5-8,11-30H2,1-4H3,(H,40,44)(H,41,45)(H,42,46).

What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate?

(2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate has a molecular weight of 883.00 g/mol, XLogP of -0.65, 42 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) 3-[[2-[1-[2-[2-[[2-(1-ethoxybutan-2-yloxy)acetyl]amino]ethoxy]ethoxy]-3-[2-[2-[[2-[1-ethoxy-3-(2-ethoxyethoxy)propan-2-yl]oxyacetyl]amino]ethoxy]ethoxy]propan-2-yl]oxyacetyl]amino]propanoate is sourced from PubChem (CID 91362399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).