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-hydroxyacetyl)amino]propyl]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

C247H474N10O27 — CID 159116284

About 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-hydroxyacetyl)amino]propyl]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-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-hydroxyacetyl)amino]propyl]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 (PubChem CID 159116284) has the molecular formula C247H474N10O27 and a molecular weight of 4016.55 g/mol. Its IUPAC name is 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-hydroxyacetyl)amino]propyl]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.

Molecular Properties

• Compound Name: 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-hydroxyacetyl)amino]propyl]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
• PubChem CID: 159116284
• Molecular Formula: C247H474N10O27
• Molecular Weight: 4016.55 g/mol
• Exact Mass: 4013.60
• IUPAC Name: 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-hydroxyacetyl)amino]propyl]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
• SMILES: 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)CO.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)COCc1ccccc1
• InChI: InChI=1S/C54H98N2O6.C49H94N2O5.C49H96N2O5.C48H94N2O5.C47H92N2O6/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;1-4-7-10-13-16-25-32-42-54-46(52)36-28-21-17-23-30-39-49(41-33-38-48-45(51)43-50)40-31-24-18-22-29-37-47(53)55-44(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3/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;44,50H,4-43H2,1-3H3,(H,48,51)
• InChIKey: KFCZEWMXGGJQLD-UHFFFAOYSA-N
• XLogP: 67.65
• TPSA: 436.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 221
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4016.55
LogP ≤ 5	67.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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 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-hydroxyacetyl)amino]propyl]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?

The IUPAC name of 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-hydroxyacetyl)amino]propyl]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 (CID 159116284) is 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-hydroxyacetyl)amino]propyl]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.

What is the SMILES notation for 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-hydroxyacetyl)amino]propyl]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?

The canonical SMILES for 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-hydroxyacetyl)amino]propyl]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 is 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)CO.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)COCc1ccccc1.

What is the InChIKey of 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-hydroxyacetyl)amino]propyl]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?

The InChIKey is KFCZEWMXGGJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H98N2O6.C49H94N2O5.C49H96N2O5.C48H94N2O5.C47H92N2O6/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;1-4-7-10-13-16-25-32-42-54-46(52)36-28-21-17-23-30-39-49(41-33-38-48-45(51)43-50)40-31-24-18-22-29-37-47(53)55-44(34-26-19-14-11-8-5-2)35-27-20-15-12-9-6-3/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;44,50H,4-43H2,1-3H3,(H,48,51).

What are the key properties of 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-hydroxyacetyl)amino]propyl]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-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-hydroxyacetyl)amino]propyl]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 has a molecular weight of 4016.55 g/mol, XLogP of 67.65, 221 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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-hydroxyacetyl)amino]propyl]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 is sourced from PubChem (CID 159116284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).