heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate

C204H395N5O29 — CID 162015070

About heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate

heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate (PubChem CID 162015070) has the molecular formula C204H395N5O29 and a molecular weight of 3382.41 g/mol. Its IUPAC name is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate.

Molecular Properties

• Compound Name: heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
• PubChem CID: 162015070
• Molecular Formula: C204H395N5O29
• Molecular Weight: 3382.41 g/mol
• Exact Mass: 3379.96
• IUPAC Name: heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
• SMILES: CCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC1CCC(CCCC)CC1.CCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCC)CC1
• InChI: InChI=1S/2C44H85NO7.C44H87NO5.C37H71NO5.C35H67NO5/c1-5-7-9-11-15-23-31-41(32-24-16-12-10-8-6-2)52-44(49)35-26-18-14-20-29-37-45(38-39-46)36-28-19-13-17-25-34-43(48)51-40(3)30-22-21-27-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)40(3)30-22-17-20-28-36-45(37-38-46)35-27-19-13-16-26-34-43(48)51-39-29-21-18-25-33-42(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;1-3-5-7-8-9-16-21-33-42-36(40)23-17-12-10-14-19-29-38(31-32-39)30-20-15-11-13-18-24-37(41)43-35-27-25-34(26-28-35)22-6-4-2;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/h2*40-41,46H,5-39H2,1-4H3;42,46H,4-41H2,1-3H3;34-35,39H,3-33H2,1-2H3;32-33,37H,3-31H2,1-2H3
• InChIKey: YTZNKYMANAHFMT-UHFFFAOYSA-N
• XLogP: 53.70
• TPSA: 432.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 179
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3382.41
LogP ≤ 5	53.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate?

The IUPAC name of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate (CID 162015070) is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate.

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

The canonical SMILES for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC1CCC(CCCC)CC1.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]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate?

The InChIKey is YTZNKYMANAHFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H85NO7.C44H87NO5.C37H71NO5.C35H67NO5/c1-5-7-9-11-15-23-31-41(32-24-16-12-10-8-6-2)52-44(49)35-26-18-14-20-29-37-45(38-39-46)36-28-19-13-17-25-34-43(48)51-40(3)30-22-21-27-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)40(3)30-22-17-20-28-36-45(37-38-46)35-27-19-13-16-26-34-43(48)51-39-29-21-18-25-33-42(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;1-3-5-7-8-9-16-21-33-42-36(40)23-17-12-10-14-19-29-38(31-32-39)30-20-15-11-13-18-24-37(41)43-35-27-25-34(26-28-35)22-6-4-2;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/h2*40-41,46H,5-39H2,1-4H3;42,46H,4-41H2,1-3H3;34-35,39H,3-33H2,1-2H3;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]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate?

heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate has a molecular weight of 3382.41 g/mol, XLogP of 53.70, 179 rotatable bonds, 5 hydrogen bond donors, and 34 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]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate is sourced from PubChem (CID 162015070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).