7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate

C202H393N11O23 — CID 162124348

About 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate

7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate (PubChem CID 162124348) has the molecular formula C202H393N11O23 and a molecular weight of 3344.42 g/mol. Its IUPAC name is 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate.

Molecular Properties

• Compound Name: 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate
• PubChem CID: 162124348
• Molecular Formula: C202H393N11O23
• Molecular Weight: 3344.42 g/mol
• Exact Mass: 3341.99
• IUPAC Name: 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate
• SMILES: CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)O.CCCCCCCCCC(=O)OC(C)CCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCC/N=C(/NC#N)N(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNc1c(N(C)C)c(=O)c1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)O
• InChI: InChI=1S/C51H95N3O6.C45H89NO5.C44H87N5O2.C35H69NO5.C27H53NO5/c1-6-9-12-15-18-27-34-44-59-46(55)38-30-23-19-25-32-41-54(43-35-40-52-48-49(53(4)5)51(58)50(48)57)42-33-26-20-24-31-39-47(56)60-45(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-8-11-14-17-21-29-36-44(48)51-42(4)33-26-22-24-31-38-46(39-40-47)37-30-23-18-25-32-41-50-45(49)43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-6-9-12-15-18-19-20-21-26-31-38-49(40-33-37-46-44(47-41-45)48(4)5)39-32-27-22-25-30-36-43(50)51-42(34-28-23-16-13-10-7-2)35-29-24-17-14-11-8-3;1-3-5-7-9-13-19-25-33(26-20-14-10-8-6-4-2)41-35(40)28-22-16-12-18-24-30-36(31-32-37)29-23-17-11-15-21-27-34(38)39;1-2-3-4-5-6-13-18-25-33-27(32)20-15-10-8-12-17-22-28(23-24-29)21-16-11-7-9-14-19-26(30)31/h45,52H,6-44H2,1-5H3;42-43,47H,5-41H2,1-4H3;42H,6-40H2,1-5H3,(H,46,47);33,37H,3-32H2,1-2H3,(H,38,39);29H,2-25H2,1H3,(H,30,31)
• InChIKey: ZHVDSELNZQRQBQ-UHFFFAOYSA-N
• XLogP: 53.90
• TPSA: 436.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 183
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3344.42
LogP ≤ 5	53.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate?

The IUPAC name of 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate (CID 162124348) is 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate.

What is the SMILES notation for 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate?

The canonical SMILES for 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)O.CCCCCCCCCC(=O)OC(C)CCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCC/N=C(/NC#N)N(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNc1c(N(C)C)c(=O)c1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)O.

What is the InChIKey of 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate?

The InChIKey is ZHVDSELNZQRQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H95N3O6.C45H89NO5.C44H87N5O2.C35H69NO5.C27H53NO5/c1-6-9-12-15-18-27-34-44-59-46(55)38-30-23-19-25-32-41-54(43-35-40-52-48-49(53(4)5)51(58)50(48)57)42-33-26-20-24-31-39-47(56)60-45(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-8-11-14-17-21-29-36-44(48)51-42(4)33-26-22-24-31-38-46(39-40-47)37-30-23-18-25-32-41-50-45(49)43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-6-9-12-15-18-19-20-21-26-31-38-49(40-33-37-46-44(47-41-45)48(4)5)39-32-27-22-25-30-36-43(50)51-42(34-28-23-16-13-10-7-2)35-29-24-17-14-11-8-3;1-3-5-7-9-13-19-25-33(26-20-14-10-8-6-4-2)41-35(40)28-22-16-12-18-24-30-36(31-32-37)29-23-17-11-15-21-27-34(38)39;1-2-3-4-5-6-13-18-25-33-27(32)20-15-10-8-12-17-22-28(23-24-29)21-16-11-7-9-14-19-26(30)31/h45,52H,6-44H2,1-5H3;42-43,47H,5-41H2,1-4H3;42H,6-40H2,1-5H3,(H,46,47);33,37H,3-32H2,1-2H3,(H,38,39);29H,2-25H2,1H3,(H,30,31).

What are the key properties of 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate?

7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate has a molecular weight of 3344.42 g/mol, XLogP of 53.90, 183 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[7-decanoyloxyoctyl(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;heptadecan-9-yl 8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-dodecylamino]octanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoic acid;8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid;nonyl 8-[3-[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate is sourced from PubChem (CID 162124348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).