2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate

C225H441F3N8O24 — CID 158006579

About 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate

2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate (PubChem CID 158006579) has the molecular formula C225H441F3N8O24 and a molecular weight of 3700.03 g/mol. Its IUPAC name is 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate.

Molecular Properties

• Compound Name: 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
• PubChem CID: 158006579
• Molecular Formula: C225H441F3N8O24
• Molecular Weight: 3700.03 g/mol
• Exact Mass: 3697.35
• IUPAC Name: 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
• SMILES: CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OCCCCC.CCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCC(F)(F)F.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(N)C(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCOCC1
• InChI: InChI=1S/C48H94N2O6.C48H94N2O5.C46H88F3NO4.C45H90N2O4.C38H75NO5/c1-4-7-10-13-16-25-34-43-55-46(51)38-28-21-17-23-31-40-50(42-33-30-37-45(49)48(53)54)41-32-24-18-22-29-39-47(52)56-44(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-43-54-47(51)35-28-21-17-23-30-37-49(39-40-50-41-44-53-45-42-50)38-31-24-18-22-29-36-48(52)55-46(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-42-53-44(51)36-28-21-17-23-30-39-50(41-33-38-46(47,48)49)40-31-24-18-22-29-37-45(52)54-43(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3;1-5-8-11-14-17-24-31-38-46(4)44(49)36-29-22-18-25-32-39-47(41-42-48)40-33-26-19-23-30-37-45(50)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-20-27-36(28-21-16-13-11-8-5-2)44-38(42)30-22-17-14-18-24-31-39(33-34-40)32-25-19-23-29-37(41)43-35-26-9-6-3/h44-45H,4-43,49H2,1-3H3,(H,53,54);46H,4-45H2,1-3H3;43H,4-42H2,1-3H3;43,48H,5-42H2,1-4H3;36,40H,4-35H2,1-3H3
• InChIKey: FEJBTKFHCXTLSY-UHFFFAOYSA-N
• XLogP: 64.20
• TPSA: 389.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 205
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3700.03
LogP ≤ 5	64.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?

The IUPAC name of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate (CID 158006579) is 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate.

What is the SMILES notation for 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?

The canonical SMILES for 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OCCCCC.CCCCCCCCCN(C)C(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCC(F)(F)F.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(N)C(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCOCC1.

What is the InChIKey of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?

The InChIKey is FEJBTKFHCXTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H94N2O6.C48H94N2O5.C46H88F3NO4.C45H90N2O4.C38H75NO5/c1-4-7-10-13-16-25-34-43-55-46(51)38-28-21-17-23-31-40-50(42-33-30-37-45(49)48(53)54)41-32-24-18-22-29-39-47(52)56-44(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-43-54-47(51)35-28-21-17-23-30-37-49(39-40-50-41-44-53-45-42-50)38-31-24-18-22-29-36-48(52)55-46(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-4-7-10-13-16-25-32-42-53-44(51)36-28-21-17-23-30-39-50(41-33-38-46(47,48)49)40-31-24-18-22-29-37-45(52)54-43(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3;1-5-8-11-14-17-24-31-38-46(4)44(49)36-29-22-18-25-32-39-47(41-42-48)40-33-26-19-23-30-37-45(50)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-20-27-36(28-21-16-13-11-8-5-2)44-38(42)30-22-17-14-18-24-31-39(33-34-40)32-25-19-23-29-37(41)43-35-26-9-6-3/h44-45H,4-43,49H2,1-3H3,(H,53,54);46H,4-45H2,1-3H3;43H,4-42H2,1-3H3;43,48H,5-42H2,1-4H3;36,40H,4-35H2,1-3H3.

What are the key properties of 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate?

2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate has a molecular weight of 3700.03 g/mol, XLogP of 64.20, 205 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate is sourced from PubChem (CID 158006579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).