heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate

C292H561N11O33 — CID 161076415

About heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate (PubChem CID 161076415) has the molecular formula C292H561N11O33 and a molecular weight of 4754.74 g/mol. Its IUPAC name is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
• PubChem CID: 161076415
• Molecular Formula: C292H561N11O33
• Molecular Weight: 4754.74 g/mol
• Exact Mass: 4751.26
• IUPAC Name: heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
• SMILES: CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN(C)C(C)=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN1CCCC1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)COCc1ccccc1
• InChI: InChI=1S/C54H98N2O6.C49H94N2O5.C49H96N2O5.2C48H94N2O5.C44H85NO7/c1-4-7-10-13-16-25-35-47-61-53(58)41-31-21-17-23-33-44-56(46-36-43-55-52(57)49-60-48-50-37-27-26-28-38-50)45-34-24-18-22-32-42-54(59)62-51(39-29-19-14-11-8-5-2)40-30-20-15-12-9-6-3;1-4-7-10-13-16-25-32-45-55-48(53)38-28-21-17-23-30-40-50(42-34-44-51-43-33-37-47(51)52)41-31-24-18-22-29-39-49(54)56-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-6-9-12-15-18-27-34-44-55-47(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;1-6-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49(5)45(4)51)42-33-26-20-24-31-39-48(53)55-46(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;1-5-7-9-11-14-23-31-41(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/h26-28,37-38,51H,4-25,29-36,39-49H2,1-3H3,(H,55,57);46H,4-45H2,1-3H3;45-46H,6-44H2,1-5H3,(H,50,54);46H,6-44H2,1-5H3;45H,5-44H2,1-4H3,(H,49,51);40-41,46H,5-39H2,1-4H3
• InChIKey: UFIKLUQYWYAATR-UHFFFAOYSA-N
• XLogP: 80.49
• TPSA: 518.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 261
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4754.74
LogP ≤ 5	80.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate (CID 161076415) is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN(C)C(C)=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN1CCCC1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)COCc1ccccc1.

What is the InChIKey of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?

The InChIKey is UFIKLUQYWYAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H98N2O6.C49H94N2O5.C49H96N2O5.2C48H94N2O5.C44H85NO7/c1-4-7-10-13-16-25-35-47-61-53(58)41-31-21-17-23-33-44-56(46-36-43-55-52(57)49-60-48-50-37-27-26-28-38-50)45-34-24-18-22-32-42-54(59)62-51(39-29-19-14-11-8-5-2)40-30-20-15-12-9-6-3;1-4-7-10-13-16-25-32-45-55-48(53)38-28-21-17-23-30-40-50(42-34-44-51-43-33-37-47(51)52)41-31-24-18-22-29-39-49(54)56-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-6-9-12-15-18-27-34-44-55-47(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;1-6-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49(5)45(4)51)42-33-26-20-24-31-39-48(53)55-46(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;1-5-7-9-11-14-23-31-41(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/h26-28,37-38,51H,4-25,29-36,39-49H2,1-3H3,(H,55,57);46H,4-45H2,1-3H3;45-46H,6-44H2,1-5H3,(H,50,54);46H,6-44H2,1-5H3;45H,5-44H2,1-4H3,(H,49,51);40-41,46H,5-39H2,1-4H3.

What are the key properties of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate has a molecular weight of 4754.74 g/mol, XLogP of 80.49, 261 rotatable bonds, 4 hydrogen bond donors, and 39 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;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate is sourced from PubChem (CID 161076415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).