undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate

C70H141N7O6 — CID 168851315

About undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate

undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate (PubChem CID 168851315) has the molecular formula C70H141N7O6 and a molecular weight of 1176.94 g/mol. Its IUPAC name is undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate.

Molecular Properties

• Compound Name: undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate
• PubChem CID: 168851315
• Molecular Formula: C70H141N7O6
• Molecular Weight: 1176.94 g/mol
• Exact Mass: 1176.09
• IUPAC Name: undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate
• SMILES: CCCCCCCCCCCCCCN(CCNC(=O)CCN(C)CCN(C)CCC(=O)NCCN(CC(=O)NCCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCC
• InChI: InChI=1S/C70H141N7O6/c1-7-11-15-19-23-27-30-31-34-38-42-46-55-76(58-51-70(82)83-63-47-43-39-35-26-22-18-14-10-4)59-53-72-67(79)49-56-74(5)61-62-75(6)57-50-68(80)73-54-60-77(64-66(78)48-44-40-36-32-28-24-20-16-12-8-2)65-69(81)71-52-45-41-37-33-29-25-21-17-13-9-3/h66,78H,7-65H2,1-6H3,(H,71,81)(H,72,79)(H,73,80)
• InChIKey: OEPUUPKZBLTKIH-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 146.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 67
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.94
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate?

The IUPAC name of undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate (CID 168851315) is undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate.

What is the SMILES notation for undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate?

The canonical SMILES for undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate is CCCCCCCCCCCCCCN(CCNC(=O)CCN(C)CCN(C)CCC(=O)NCCN(CC(=O)NCCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCC.

What is the InChIKey of undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate?

The InChIKey is OEPUUPKZBLTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H141N7O6/c1-7-11-15-19-23-27-30-31-34-38-42-46-55-76(58-51-70(82)83-63-47-43-39-35-26-22-18-14-10-4)59-53-72-67(79)49-56-74(5)61-62-75(6)57-50-68(80)73-54-60-77(64-66(78)48-44-40-36-32-28-24-20-16-12-8-2)65-69(81)71-52-45-41-37-33-29-25-21-17-13-9-3/h66,78H,7-65H2,1-6H3,(H,71,81)(H,72,79)(H,73,80).

What are the key properties of undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate?

undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate has a molecular weight of 1176.94 g/mol, XLogP of 15.34, 67 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for undecyl 3-[2-[3-[2-[[3-[2-[[2-(dodecylamino)-2-oxoethyl]-(2-hydroxytetradecyl)amino]ethylamino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]ethyl-tetradecylamino]propanoate is sourced from PubChem (CID 168851315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).