heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate

C264H514N8O34 — CID 157110842

About heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate

heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate (PubChem CID 157110842) has the molecular formula C264H514N8O34 and a molecular weight of 4345.04 g/mol. Its IUPAC name is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate.

Molecular Properties

• Compound Name: heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
• PubChem CID: 157110842
• Molecular Formula: C264H514N8O34
• Molecular Weight: 4345.04 g/mol
• Exact Mass: 4341.87
• IUPAC Name: heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
• SMILES: CCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCC)CC1
• InChI: InChI=1S/C49H96N2O5.C48H94N2O5.2C44H85NO7.C44H87NO5.C35H67NO5/c1-6-9-12-15-18-27-34-44-55-47(52)38-30-23-19-25-32-41-51(43-35-40-50-49(54)45(4)5)42-33-26-20-24-31-39-48(53)56-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49-46(51)8-4)42-33-26-20-24-31-39-48(53)55-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-7-9-11-16-23-31-41(32-24-17-12-10-8-6-2)52-44(49)40(3)30-22-19-21-28-36-45(37-38-46)35-27-20-15-13-14-18-25-34-43(48)51-39-29-26-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)35-27-18-17-22-30-40(3)45(37-38-46)36-28-20-13-16-26-34-43(48)51-39-29-21-19-25-33-42(47)50-4;1-4-7-10-13-19-26-33-42(34-27-20-14-11-8-5-2)50-44(48)36-29-22-18-24-31-38-45(39-40-46)37-30-23-17-15-16-21-28-35-43(47)49-41-32-25-12-9-6-3;1-3-5-7-13-19-31-40-34(38)21-15-11-9-8-10-12-17-27-36(29-30-37)28-18-14-16-22-35(39)41-33-25-23-32(24-26-33)20-6-4-2/h45-46H,6-44H2,1-5H3,(H,50,54);45H,5-44H2,1-4H3,(H,49,51);2*40-41,46H,5-39H2,1-4H3;42,46H,4-41H2,1-3H3;32-33,37H,3-31H2,1-2H3
• InChIKey: AGVGCUOBKBIINN-UHFFFAOYSA-N
• XLogP: 71.59
• TPSA: 526.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 237
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4345.04
LogP ≤ 5	71.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

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 heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?

The IUPAC name of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate (CID 157110842) is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate.

What is the SMILES notation for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?

The canonical SMILES for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCC)CC1.

What is the InChIKey of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?

The InChIKey is AGVGCUOBKBIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H96N2O5.C48H94N2O5.2C44H85NO7.C44H87NO5.C35H67NO5/c1-6-9-12-15-18-27-34-44-55-47(52)38-30-23-19-25-32-41-51(43-35-40-50-49(54)45(4)5)42-33-26-20-24-31-39-48(53)56-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49-46(51)8-4)42-33-26-20-24-31-39-48(53)55-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-7-9-11-16-23-31-41(32-24-17-12-10-8-6-2)52-44(49)40(3)30-22-19-21-28-36-45(37-38-46)35-27-20-15-13-14-18-25-34-43(48)51-39-29-26-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)35-27-18-17-22-30-40(3)45(37-38-46)36-28-20-13-16-26-34-43(48)51-39-29-21-19-25-33-42(47)50-4;1-4-7-10-13-19-26-33-42(34-27-20-14-11-8-5-2)50-44(48)36-29-22-18-24-31-38-45(39-40-46)37-30-23-17-15-16-21-28-35-43(47)49-41-32-25-12-9-6-3;1-3-5-7-13-19-31-40-34(38)21-15-11-9-8-10-12-17-27-36(29-30-37)28-18-14-16-22-35(39)41-33-25-23-32(24-26-33)20-6-4-2/h45-46H,6-44H2,1-5H3,(H,50,54);45H,5-44H2,1-4H3,(H,49,51);2*40-41,46H,5-39H2,1-4H3;42,46H,4-41H2,1-3H3;32-33,37H,3-31H2,1-2H3.

What are the key properties of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?

heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate has a molecular weight of 4345.04 g/mol, XLogP of 71.59, 237 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate is sourced from PubChem (CID 157110842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).