heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate

C180H356N4O20 — CID 160734945

About heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate

heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate (PubChem CID 160734945) has the molecular formula C180H356N4O20 and a molecular weight of 2896.84 g/mol. Its IUPAC name is heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate.

Molecular Properties

• Compound Name: heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate
• PubChem CID: 160734945
• Molecular Formula: C180H356N4O20
• Molecular Weight: 2896.84 g/mol
• Exact Mass: 2894.70
• IUPAC Name: heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate
• SMILES: CCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCN(CCO)C(C)CCCCCCCCOC(=O)CCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)C(C)CCCCCCCCOC(=O)CCCCCCC.CCCCCCCCCOC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)C(C)CCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/4C45H89NO5/c1-5-8-11-14-21-27-34-43(35-28-22-15-12-9-6-2)51-45(49)37-30-23-18-24-31-38-46(39-40-47)42(4)33-26-20-16-17-25-32-41-50-44(48)36-29-19-13-10-7-3;1-5-8-11-14-21-27-34-43(35-28-22-15-12-9-6-2)45(49)51-41-32-25-18-23-30-37-46(38-39-47)42(4)33-26-20-16-17-24-31-40-50-44(48)36-29-19-13-10-7-3;1-5-8-11-14-17-24-31-40-50-44(48)42(4)33-26-21-23-30-37-46(38-39-47)36-29-22-18-25-32-41-51-45(49)43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-5-8-11-14-17-25-32-41-50-45(49)42(4)33-26-22-24-31-38-46(39-40-47)37-30-23-18-21-29-36-44(48)51-43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3/h4*42-43,47H,5-41H2,1-4H3
• InChIKey: RUVDCVLNKCZPOS-UHFFFAOYSA-N
• XLogP: 51.66
• TPSA: 304.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 164
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2896.84
LogP ≤ 5	51.66
H-Bond Donors ≤ 5	4
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 heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate?

The IUPAC name of heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate (CID 160734945) is heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate.

What is the SMILES notation for heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate?

The canonical SMILES for heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate is CCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCN(CCO)C(C)CCCCCCCCOC(=O)CCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)C(C)CCCCCCCCOC(=O)CCCCCCC.CCCCCCCCCOC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)C(C)CCCCCCN(CCO)CCCCCCCOC(=O)C(CCCCCCCC)CCCCCCCC.

What is the InChIKey of heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate?

The InChIKey is RUVDCVLNKCZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H89NO5/c1-5-8-11-14-21-27-34-43(35-28-22-15-12-9-6-2)51-45(49)37-30-23-18-24-31-38-46(39-40-47)42(4)33-26-20-16-17-25-32-41-50-44(48)36-29-19-13-10-7-3;1-5-8-11-14-21-27-34-43(35-28-22-15-12-9-6-2)45(49)51-41-32-25-18-23-30-37-46(38-39-47)42(4)33-26-20-16-17-24-31-40-50-44(48)36-29-19-13-10-7-3;1-5-8-11-14-17-24-31-40-50-44(48)42(4)33-26-21-23-30-37-46(38-39-47)36-29-22-18-25-32-41-51-45(49)43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-5-8-11-14-17-25-32-41-50-45(49)42(4)33-26-22-24-31-38-46(39-40-47)37-30-23-18-21-29-36-44(48)51-43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3/h4*42-43,47H,5-41H2,1-4H3.

What are the key properties of heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate?

heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate has a molecular weight of 2896.84 g/mol, XLogP of 51.66, 164 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for heptadecan-9-yl 8-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]octanoate;7-[2-hydroxyethyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;7-[2-hydroxyethyl(10-octanoyloxydecan-2-yl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]-2-methyloctanoate is sourced from PubChem (CID 160734945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).