6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate

C212H416N6O19 — CID 161393021

About 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate

6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate (PubChem CID 161393021) has the molecular formula C212H416N6O19 and a molecular weight of 3353.68 g/mol. Its IUPAC name is 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate.

Molecular Properties

• Compound Name: 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate
• PubChem CID: 161393021
• Molecular Formula: C212H416N6O19
• Molecular Weight: 3353.68 g/mol
• Exact Mass: 3351.18
• IUPAC Name: 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate
• SMILES: CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCCCCN(CCCO)CCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCC#N)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)CCCCNC(C)=O.CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCN(CCCO)CCCCCCOC(=O)C(CCCCCCCC)CCCCCCCCCC
• InChI: InChI=1S/C59H117NO5.C55H109NO5.C50H98N2O5.C48H92N2O4/c1-5-9-13-17-31-39-48-56(46-37-15-11-7-3)58(62)64-54-43-35-29-25-21-19-23-27-33-41-50-60(52-45-53-61)51-42-34-28-24-20-22-26-30-36-44-55-65-59(63)57(47-38-16-12-8-4)49-40-32-18-14-10-6-2;1-5-9-13-17-21-23-27-35-44-52(42-33-25-19-15-11-7-3)54(58)60-50-39-31-29-37-46-56(48-41-49-57)47-38-30-32-40-51-61-55(59)53(43-34-26-20-16-12-8-4)45-36-28-24-22-18-14-10-6-2;1-6-10-14-18-20-28-38-47(36-26-16-12-8-3)49(54)56-44-34-24-22-31-41-52(43-33-30-40-51-46(5)53)42-32-23-25-35-45-57-50(55)48(37-27-17-13-9-4)39-29-21-19-15-11-7-2;1-5-9-13-17-19-27-37-45(35-25-15-11-7-3)47(51)53-43-33-23-21-30-40-50(42-32-29-39-49)41-31-22-24-34-44-54-48(52)46(36-26-16-12-8-4)38-28-20-18-14-10-6-2/h56-57,61H,5-55H2,1-4H3;52-53,57H,5-51H2,1-4H3;47-48H,6-45H2,1-5H3,(H,51,53);45-46H,5-38,40-44H2,1-4H3
• InChIKey: VTFWEHRTKZFAGB-UHFFFAOYSA-N
• XLogP: 63.47
• TPSA: 316.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 194
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3353.68
LogP ≤ 5	63.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate?

The IUPAC name of 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate (CID 161393021) is 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate.

What is the SMILES notation for 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate?

The canonical SMILES for 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate is CCCCCCCCC(CCCCCC)C(=O)OCCCCCCCCCCCCN(CCCO)CCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCC#N)CCCCCCOC(=O)C(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)CCCCNC(C)=O.CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCN(CCCO)CCCCCCOC(=O)C(CCCCCCCC)CCCCCCCCCC.

What is the InChIKey of 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate?

The InChIKey is VTFWEHRTKZFAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H117NO5.C55H109NO5.C50H98N2O5.C48H92N2O4/c1-5-9-13-17-31-39-48-56(46-37-15-11-7-3)58(62)64-54-43-35-29-25-21-19-23-27-33-41-50-60(52-45-53-61)51-42-34-28-24-20-22-26-30-36-44-55-65-59(63)57(47-38-16-12-8-4)49-40-32-18-14-10-6-2;1-5-9-13-17-21-23-27-35-44-52(42-33-25-19-15-11-7-3)54(58)60-50-39-31-29-37-46-56(48-41-49-57)47-38-30-32-40-51-61-55(59)53(43-34-26-20-16-12-8-4)45-36-28-24-22-18-14-10-6-2;1-6-10-14-18-20-28-38-47(36-26-16-12-8-3)49(54)56-44-34-24-22-31-41-52(43-33-30-40-51-46(5)53)42-32-23-25-35-45-57-50(55)48(37-27-17-13-9-4)39-29-21-19-15-11-7-2;1-5-9-13-17-19-27-37-45(35-25-15-11-7-3)47(51)53-43-33-23-21-30-40-50(42-32-29-39-49)41-31-22-24-34-44-54-48(52)46(36-26-16-12-8-4)38-28-20-18-14-10-6-2/h56-57,61H,5-55H2,1-4H3;52-53,57H,5-51H2,1-4H3;47-48H,6-45H2,1-5H3,(H,51,53);45-46H,5-38,40-44H2,1-4H3.

What are the key properties of 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate?

6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate has a molecular weight of 3353.68 g/mol, XLogP of 63.47, 194 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-acetamidobutyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;6-[3-cyanopropyl-[6-(2-hexyldecanoyloxy)hexyl]amino]hexyl 2-hexyldecanoate;12-[12-(2-hexyldecanoyloxy)dodecyl-(3-hydroxypropyl)amino]dodecyl 2-hexyldecanoate;6-[3-hydroxypropyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-octyldodecanoate is sourced from PubChem (CID 161393021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).