decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate

C317H613N17O32 — CID 165013481

IUPACdecan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCC1CC1CCCCCCCC.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCn1cnc2c(=O)[nH]c(N)nc21.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C49H90N6O5.C49H90N6O4.C47H93NO5.C46H91NO5.C46H91NO3.C45H89NO5.C35H69NO5/c1-4-7-10-13-18-25-33-43(34-26-19-14-11-8-5-2)60-45(57)36-28-21-17-23-30-38-54(39-32-40-55-42-51-46-47(55)52-49(50)53-48(46)58)37-29-22-16-20-27-35-44(56)59-41-31-24-15-12-9-6-3;1-4-7-10-13-18-25-33-44(34-26-19-14-11-8-5-2)59-46(57)36-28-21-17-23-30-38-54(39-32-40-55-43-53-47-48(50)51-42-52-49(47)55)37-29-22-16-20-27-35-45(56)58-41-31-24-15-12-9-6-3;1-5-9-12-15-20-27-35-44(34-8-4)52-46(50)38-30-23-18-25-32-40-48(42-43-49)41-33-26-19-24-31-39-47(51)53-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-9-12-15-20-27-34-43(8-4)51-45(49)37-30-23-18-25-32-39-47(41-42-48)40-33-26-19-24-31-38-46(50)52-44(35-28-21-16-13-10-6-2)36-29-22-17-14-11-7-3;1-4-7-10-13-19-26-33-43-42-44(43)34-27-20-16-17-24-31-38-47(40-41-48)39-32-25-18-23-30-37-46(49)50-45(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-5-8-11-14-19-26-33-42(4)50-44(48)36-29-22-17-24-31-38-46(40-41-47)39-32-25-18-23-30-37-45(49)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-19-24-33(25-20-16-13-11-8-5-2)41-35(39)26-21-17-14-18-22-28-36(30-31-37)29-23-27-34(38)40-32-9-6-3/h42-43H,4-41H2,1-3H3,(H3,50,52,53,58);42-44H,4-41H2,1-3H3,(H2,50,51,52);44-45,49H,5-43H2,1-4H3;43-44,48H,5-42H2,1-4H3;43-45,48H,4-42H2,1-3H3;42-43,47H,5-41H2,1-4H3;33,37H,4-32H2,1-3H3
InChIKeyKAZGIKWCWVMJQK-UHFFFAOYSA-N
MW5175.48 g/mol
LogP89.14
Rot. Bonds283

About decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate

decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate (PubChem CID 165013481) has the molecular formula C317H613N17O32 and a molecular weight of 5175.48 g/mol. Its IUPAC name is decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate.

Molecular Properties

Compound Namedecan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
PubChem CID165013481
Molecular FormulaC317H613N17O32
Molecular Weight5175.48 g/mol
Exact Mass5171.69
IUPAC Namedecan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCC1CC1CCCCCCCC.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCn1cnc2c(=O)[nH]c(N)nc21.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C49H90N6O5.C49H90N6O4.C47H93NO5.C46H91NO5.C46H91NO3.C45H89NO5.C35H69NO5/c1-4-7-10-13-18-25-33-43(34-26-19-14-11-8-5-2)60-45(57)36-28-21-17-23-30-38-54(39-32-40-55-42-51-46-47(55)52-49(50)53-48(46)58)37-29-22-16-20-27-35-44(56)59-41-31-24-15-12-9-6-3;1-4-7-10-13-18-25-33-44(34-26-19-14-11-8-5-2)59-46(57)36-28-21-17-23-30-38-54(39-32-40-55-43-53-47-48(50)51-42-52-49(47)55)37-29-22-16-20-27-35-45(56)58-41-31-24-15-12-9-6-3;1-5-9-12-15-20-27-35-44(34-8-4)52-46(50)38-30-23-18-25-32-40-48(42-43-49)41-33-26-19-24-31-39-47(51)53-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-9-12-15-20-27-34-43(8-4)51-45(49)37-30-23-18-25-32-39-47(41-42-48)40-33-26-19-24-31-38-46(50)52-44(35-28-21-16-13-10-6-2)36-29-22-17-14-11-7-3;1-4-7-10-13-19-26-33-43-42-44(43)34-27-20-16-17-24-31-38-47(40-41-48)39-32-25-18-23-30-37-46(49)50-45(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-5-8-11-14-19-26-33-42(4)50-44(48)36-29-22-17-24-31-38-46(40-41-47)39-32-25-18-23-30-37-45(49)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-19-24-33(25-20-16-13-11-8-5-2)41-35(39)26-21-17-14-18-22-28-36(30-31-37)29-23-27-34(38)40-32-9-6-3/h42-43H,4-41H2,1-3H3,(H3,50,52,53,58);42-44H,4-41H2,1-3H3,(H2,50,51,52);44-45,49H,5-43H2,1-4H3;43-44,48H,5-42H2,1-4H3;43-45,48H,4-42H2,1-3H3;42-43,47H,5-41H2,1-4H3;33,37H,4-32H2,1-3H3
InChIKeyKAZGIKWCWVMJQK-UHFFFAOYSA-N
XLogP89.14
TPSA624.94 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds283
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005175.48
LogP ≤ 589.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate with MolForge

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Launch Full Analysis

Related Compounds

octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-[8-[23-[2-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octyl]cyclopropyl]-16,17-dimethyltricosan-9-yl]oxy-8-oxooctyl]amino]octanoate
CID 139376645
octyl 8-[3-(6-aminopurin-9-yl)propyl-[8-[(E)-heptadec-5-en-9-yl]oxy-8-oxooctyl]amino]octanoate
CID 142431592
octyl 8-[3-(6-aminopurin-9-yl)propyl-nonylamino]octanoate
CID 142349884
nonyl 8-[[8-[1-(2-butylcyclopropyl)-5-(2-propylcyclopropyl)pentan-3-yl]oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 155239407
nonyl 9-[2-hydroxyethyl-(9-oxo-9-undecan-3-yloxynonyl)amino]nonanoate;octane
CID 171840807
heptadecan-9-yl 8-[(4-decan-2-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(4-oxo-4-pentadecan-7-yloxybutyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[4-oxo-4-(4-pentylcyclohexyl)oxybutyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[6-oxo-6-(4-pentylcyclohexyl)oxyhexyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(4-oxo-4-tetradecan-6-yloxybutyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(4-oxo-4-undecan-3-yloxybutyl)amino]octanoate;nonyl 8-[2,3-dihydroxypropyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 162231426
pentyl 9-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]nonanoate
CID 171836806
heptadecan-9-yl 8-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]octanoate;7-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;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-pentadecan-7-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-6-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-undecan-3-yloxyoctyl)amino]octanoate
CID 157235782
heptadecan-9-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]octanoate;(2-hexylcyclopropyl)methyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;7-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;nonyl 8-[(8-dodecan-4-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-pentadecan-7-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-6-yloxyoctyl)amino]octanoate
CID 161087924
octyl 8-[3-(2-amino-6-hydroxy-3,6-dihydropurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 146563973
nonyl 8-[2-hydroxyethyl-(8-octan-4-yloxy-8-oxooctyl)amino]octanoate
CID 146184390
decyl 8-[2-hydroxyethyl-(8-octadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 166923378

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate?
The IUPAC name of decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate (CID 165013481) is decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate.
What is the SMILES notation for decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate?
The canonical SMILES for decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate is CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCCC1CC1CCCCCCCC.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCn1cnc2c(=O)[nH]c(N)nc21.CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCn1cnc2c(N)ncnc21.
What is the InChIKey of decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate?
The InChIKey is KAZGIKWCWVMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H90N6O5.C49H90N6O4.C47H93NO5.C46H91NO5.C46H91NO3.C45H89NO5.C35H69NO5/c1-4-7-10-13-18-25-33-43(34-26-19-14-11-8-5-2)60-45(57)36-28-21-17-23-30-38-54(39-32-40-55-42-51-46-47(55)52-49(50)53-48(46)58)37-29-22-16-20-27-35-44(56)59-41-31-24-15-12-9-6-3;1-4-7-10-13-18-25-33-44(34-26-19-14-11-8-5-2)59-46(57)36-28-21-17-23-30-38-54(39-32-40-55-43-53-47-48(50)51-42-52-49(47)55)37-29-22-16-20-27-35-45(56)58-41-31-24-15-12-9-6-3;1-5-9-12-15-20-27-35-44(34-8-4)52-46(50)38-30-23-18-25-32-40-48(42-43-49)41-33-26-19-24-31-39-47(51)53-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-9-12-15-20-27-34-43(8-4)51-45(49)37-30-23-18-25-32-39-47(41-42-48)40-33-26-19-24-31-38-46(50)52-44(35-28-21-16-13-10-6-2)36-29-22-17-14-11-7-3;1-4-7-10-13-19-26-33-43-42-44(43)34-27-20-16-17-24-31-38-47(40-41-48)39-32-25-18-23-30-37-46(49)50-45(35-28-21-14-11-8-5-2)36-29-22-15-12-9-6-3;1-5-8-11-14-19-26-33-42(4)50-44(48)36-29-22-17-24-31-38-46(40-41-47)39-32-25-18-23-30-37-45(49)51-43(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-12-15-19-24-33(25-20-16-13-11-8-5-2)41-35(39)26-21-17-14-18-22-28-36(30-31-37)29-23-27-34(38)40-32-9-6-3/h42-43H,4-41H2,1-3H3,(H3,50,52,53,58);42-44H,4-41H2,1-3H3,(H2,50,51,52);44-45,49H,5-43H2,1-4H3;43-44,48H,5-42H2,1-4H3;43-45,48H,4-42H2,1-3H3;42-43,47H,5-41H2,1-4H3;33,37H,4-32H2,1-3H3.
What are the key properties of decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate?
decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate has a molecular weight of 5175.48 g/mol, XLogP of 89.14, 283 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(4-butoxy-4-oxobutyl)-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(2-octylcyclopropyl)octyl]amino]octanoate;octyl 8-[3-(2-amino-6-oxo-1H-purin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;octyl 8-[3-(6-aminopurin-9-yl)propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;undecan-3-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate is sourced from PubChem (CID 165013481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).