nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate

C255H501N7O31S — CID 159319142

IUPACnonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCC)CCCCCCCC.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(=O)N(C)C.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(C)=O.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCS(C)(=O)=O
InChIInChI=1S/C48H94N2O5.C47H91NO5.C46H91NO6S.C39H77NO5.C38H75NO5.C37H73NO5/c1-6-9-12-15-20-27-36-45(37-28-21-16-13-10-7-2)55-48(53)40-30-23-19-25-33-42-50(43-34-31-38-46(51)49(4)5)41-32-24-18-22-29-39-47(52)54-44-35-26-17-14-11-8-3;1-5-8-11-14-19-26-36-45(37-27-20-15-12-9-6-2)53-47(51)39-29-22-18-24-32-41-48(42-33-30-35-44(4)49)40-31-23-17-21-28-38-46(50)52-43-34-25-16-13-10-7-3;1-5-8-11-14-19-26-35-44(36-27-20-15-12-9-6-2)53-46(49)38-29-22-18-24-31-40-47(41-32-34-43-54(4,50)51)39-30-23-17-21-28-37-45(48)52-42-33-25-16-13-10-7-3;1-4-7-9-11-13-21-27-36-44-38(42)30-23-17-14-19-25-32-40(34-35-41)33-26-20-15-18-24-31-39(43)45-37(28-6-3)29-22-16-12-10-8-5-2;1-4-7-9-11-13-21-27-35-43-37(41)29-23-17-14-19-25-31-39(33-34-40)32-26-20-15-18-24-30-38(42)44-36(6-3)28-22-16-12-10-8-5-2;1-4-6-8-10-12-20-26-34-42-36(40)28-22-16-13-18-24-30-38(32-33-39)31-25-19-14-17-23-29-37(41)43-35(3)27-21-15-11-9-7-5-2/h45H,6-44H2,1-5H3;45H,5-43H2,1-4H3;44H,5-43H2,1-4H3;37,41H,4-36H2,1-3H3;36,40H,4-35H2,1-3H3;35,39H,4-34H2,1-3H3
InChIKeyLDNKEQVBDJCKHD-UHFFFAOYSA-N
MW4193.90 g/mol
LogP71.69
Rot. Bonds234

About nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate

nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate (PubChem CID 159319142) has the molecular formula C255H501N7O31S and a molecular weight of 4193.90 g/mol. Its IUPAC name is nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate.

Molecular Properties

Compound Namenonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate
PubChem CID159319142
Molecular FormulaC255H501N7O31S
Molecular Weight4193.90 g/mol
Exact Mass4190.76
IUPAC Namenonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCC)CCCCCCCC.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(=O)N(C)C.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(C)=O.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCS(C)(=O)=O
InChIInChI=1S/C48H94N2O5.C47H91NO5.C46H91NO6S.C39H77NO5.C38H75NO5.C37H73NO5/c1-6-9-12-15-20-27-36-45(37-28-21-16-13-10-7-2)55-48(53)40-30-23-19-25-33-42-50(43-34-31-38-46(51)49(4)5)41-32-24-18-22-29-39-47(52)54-44-35-26-17-14-11-8-3;1-5-8-11-14-19-26-36-45(37-27-20-15-12-9-6-2)53-47(51)39-29-22-18-24-32-41-48(42-33-30-35-44(4)49)40-31-23-17-21-28-38-46(50)52-43-34-25-16-13-10-7-3;1-5-8-11-14-19-26-35-44(36-27-20-15-12-9-6-2)53-46(49)38-29-22-18-24-31-40-47(41-32-34-43-54(4,50)51)39-30-23-17-21-28-37-45(48)52-42-33-25-16-13-10-7-3;1-4-7-9-11-13-21-27-36-44-38(42)30-23-17-14-19-25-32-40(34-35-41)33-26-20-15-18-24-31-39(43)45-37(28-6-3)29-22-16-12-10-8-5-2;1-4-7-9-11-13-21-27-35-43-37(41)29-23-17-14-19-25-31-39(33-34-40)32-26-20-15-18-24-30-38(42)44-36(6-3)28-22-16-12-10-8-5-2;1-4-6-8-10-12-20-26-34-42-36(40)28-22-16-13-18-24-30-38(32-33-39)31-25-19-14-17-23-29-37(41)43-35(3)27-21-15-11-9-7-5-2/h45H,6-44H2,1-5H3;45H,5-43H2,1-4H3;44H,5-43H2,1-4H3;37,41H,4-36H2,1-3H3;36,40H,4-35H2,1-3H3;35,39H,4-34H2,1-3H3
InChIKeyLDNKEQVBDJCKHD-UHFFFAOYSA-N
XLogP71.69
TPSA467.25 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds234
Heavy Atoms294
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004193.90
LogP ≤ 571.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate?
The IUPAC name of nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate (CID 159319142) is nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate.
What is the SMILES notation for nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate?
The canonical SMILES for nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate is CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(C)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCC)CCCCCCCC.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(=O)N(C)C.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCC(C)=O.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCCS(C)(=O)=O.
What is the InChIKey of nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate?
The InChIKey is LDNKEQVBDJCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H94N2O5.C47H91NO5.C46H91NO6S.C39H77NO5.C38H75NO5.C37H73NO5/c1-6-9-12-15-20-27-36-45(37-28-21-16-13-10-7-2)55-48(53)40-30-23-19-25-33-42-50(43-34-31-38-46(51)49(4)5)41-32-24-18-22-29-39-47(52)54-44-35-26-17-14-11-8-3;1-5-8-11-14-19-26-36-45(37-27-20-15-12-9-6-2)53-47(51)39-29-22-18-24-32-41-48(42-33-30-35-44(4)49)40-31-23-17-21-28-38-46(50)52-43-34-25-16-13-10-7-3;1-5-8-11-14-19-26-35-44(36-27-20-15-12-9-6-2)53-46(49)38-29-22-18-24-31-40-47(41-32-34-43-54(4,50)51)39-30-23-17-21-28-37-45(48)52-42-33-25-16-13-10-7-3;1-4-7-9-11-13-21-27-36-44-38(42)30-23-17-14-19-25-32-40(34-35-41)33-26-20-15-18-24-31-39(43)45-37(28-6-3)29-22-16-12-10-8-5-2;1-4-7-9-11-13-21-27-35-43-37(41)29-23-17-14-19-25-31-39(33-34-40)32-26-20-15-18-24-30-38(42)44-36(6-3)28-22-16-12-10-8-5-2;1-4-6-8-10-12-20-26-34-42-36(40)28-22-16-13-18-24-30-38(32-33-39)31-25-19-14-17-23-29-37(41)43-35(3)27-21-15-11-9-7-5-2/h45H,6-44H2,1-5H3;45H,5-43H2,1-4H3;44H,5-43H2,1-4H3;37,41H,4-36H2,1-3H3;36,40H,4-35H2,1-3H3;35,39H,4-34H2,1-3H3.
What are the key properties of nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate?
nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate has a molecular weight of 4193.90 g/mol, XLogP of 71.69, 234 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 8-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate;octyl 8-[[5-(dimethylamino)-5-oxopentyl]-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4-methylsulfonylbutyl)amino]octanoate;octyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(5-oxohexyl)amino]octanoate is sourced from PubChem (CID 159319142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).