7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate

C304H602N8O31 — CID 158987461

About 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate

7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate (PubChem CID 158987461) has the molecular formula C304H602N8O31 and a molecular weight of 4866.19 g/mol. Its IUPAC name is 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate.

Molecular Properties

• Compound Name: 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
• PubChem CID: 158987461
• Molecular Formula: C304H602N8O31
• Molecular Weight: 4866.19 g/mol
• Exact Mass: 4862.58
• IUPAC Name: 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
• SMILES: CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCCCC(=O)OCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)N(C)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OCC(CCCCCCC)OC.CCCCCCCCCC(=O)OCCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCC/C=C\C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCC(=O)OC(CCCCCC)CCCCCC
• InChI: InChI=1S/C45H89NO6.C45H89NO3.C44H87NO5.2C43H85NO4.C42H84N2O4.C42H83NO5/c1-5-8-11-14-19-25-32-42(33-26-20-15-12-9-6-2)52-45(49)36-29-22-17-24-31-38-46(39-40-47)37-30-23-16-21-28-35-44(48)51-41-43(50-4)34-27-18-13-10-7-3;1-4-7-10-13-19-27-34-43-49-45(48)38-31-24-20-26-33-40-46(41-42-47)39-32-25-18-16-17-23-30-37-44(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-4-7-10-13-16-21-28-35-43(47)49-40-31-24-17-22-29-36-45(38-39-46)37-30-23-18-25-32-41-50-44(48)42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-8-11-13-21-27-34-41(35-28-22-14-12-9-6-2)48-43(46)37-30-24-20-26-32-39-44(4)38-31-25-19-17-15-16-18-23-29-36-42(45)47-40-33-10-7-3;1-5-8-11-14-20-27-34-41(35-28-21-15-12-9-6-2)48-43(46)37-30-23-19-25-32-39-44(4)38-31-24-18-16-17-22-29-36-42(45)47-40-33-26-13-10-7-3;1-5-8-11-14-18-24-31-40(32-25-19-15-12-9-6-2)48-42(47)34-27-20-17-22-29-36-44(38-39-45)37-30-23-26-33-41(46)43(4)35-28-21-16-13-10-7-3;1-4-7-10-13-17-23-30-39-47-41(45)33-26-20-18-22-29-36-43(37-38-44)35-28-21-16-14-15-19-27-34-42(46)48-40(31-24-11-8-5-2)32-25-12-9-6-3/h42-43,47H,5-41H2,1-4H3;30,37,44,47H,4-29,31-36,38-43H2,1-3H3;42,46H,4-41H2,1-3H3;2*41H,5-40H2,1-4H3;40,45H,5-39H2,1-4H3;40,44H,4-39H2,1-3H3/b;37-30-
• InChIKey: JPSZWZUZOVCOAC-USBDIDIYSA-N
• XLogP: 88.66
• TPSA: 468.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 279
• Heavy Atoms: 343
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4866.19
LogP ≤ 5	88.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate?

The IUPAC name of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate (CID 158987461) is 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate.

What is the SMILES notation for 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate?

The canonical SMILES for 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate is CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCC(=O)OCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(C)CCCCCCCCCCCC(=O)OCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)N(C)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OCC(CCCCCCC)OC.CCCCCCCCCC(=O)OCCCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCC/C=C\C(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCC(=O)OC(CCCCCC)CCCCCC.

What is the InChIKey of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate?

The InChIKey is JPSZWZUZOVCOAC-USBDIDIYSA-N. The full InChI is InChI=1S/C45H89NO6.C45H89NO3.C44H87NO5.2C43H85NO4.C42H84N2O4.C42H83NO5/c1-5-8-11-14-19-25-32-42(33-26-20-15-12-9-6-2)52-45(49)36-29-22-17-24-31-38-46(39-40-47)37-30-23-16-21-28-35-44(48)51-41-43(50-4)34-27-18-13-10-7-3;1-4-7-10-13-19-27-34-43-49-45(48)38-31-24-20-26-33-40-46(41-42-47)39-32-25-18-16-17-23-30-37-44(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-4-7-10-13-16-21-28-35-43(47)49-40-31-24-17-22-29-36-45(38-39-46)37-30-23-18-25-32-41-50-44(48)42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-8-11-13-21-27-34-41(35-28-22-14-12-9-6-2)48-43(46)37-30-24-20-26-32-39-44(4)38-31-25-19-17-15-16-18-23-29-36-42(45)47-40-33-10-7-3;1-5-8-11-14-20-27-34-41(35-28-21-15-12-9-6-2)48-43(46)37-30-23-19-25-32-39-44(4)38-31-24-18-16-17-22-29-36-42(45)47-40-33-26-13-10-7-3;1-5-8-11-14-18-24-31-40(32-25-19-15-12-9-6-2)48-42(47)34-27-20-17-22-29-36-44(38-39-45)37-30-23-26-33-41(46)43(4)35-28-21-16-13-10-7-3;1-4-7-10-13-17-23-30-39-47-41(45)33-26-20-18-22-29-36-43(37-38-44)35-28-21-16-14-15-19-27-34-42(46)48-40(31-24-11-8-5-2)32-25-12-9-6-3/h42-43,47H,5-41H2,1-4H3;30,37,44,47H,4-29,31-36,38-43H2,1-3H3;42,46H,4-41H2,1-3H3;2*41H,5-40H2,1-4H3;40,45H,5-39H2,1-4H3;40,44H,4-39H2,1-3H3/b;37-30-;;;;;.

What are the key properties of 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate?

7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate has a molecular weight of 4866.19 g/mol, XLogP of 88.66, 279 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-decanoyloxyheptyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]decanoate;2-methoxynonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[(Z)-10-octyloctadec-8-enyl]amino]octanoate;pentyl 12-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]dodecanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate is sourced from PubChem (CID 158987461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).