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

C305H599N7O36 — CID 162231426

IUPACheptadecan-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
SMILESCCCCCCCCC(C)OC(=O)CCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC(CCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC1CCC(CCCCC)CC1.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCCC)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CC(O)CO
InChIInChI=1S/C46H91NO5.C45H89NO6.C45H89NO5.C44H85NO5.C42H81NO5.C42H83NO5.C41H81NO5/c1-5-9-13-17-21-27-34-43(33-26-16-12-8-4)52-46(50)38-32-40-47(41-42-48)39-31-25-20-24-30-37-45(49)51-44(35-28-22-18-14-10-6-2)36-29-23-19-15-11-7-3;1-4-7-10-13-16-25-32-39-51-44(49)35-28-21-17-23-30-37-46(40-42(48)41-47)38-31-24-18-22-29-36-45(50)52-43(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-9-13-16-20-26-33-42(32-25-12-8-4)51-45(49)37-31-39-46(40-41-47)38-30-24-19-23-29-36-44(48)50-43(34-27-21-17-14-10-6-2)35-28-22-18-15-11-7-3;1-4-7-10-12-15-21-28-41(29-22-16-13-11-8-5-2)49-43(47)30-23-17-14-18-25-36-45(38-39-46)37-26-19-24-31-44(48)50-42-34-32-40(33-35-42)27-20-9-6-3;1-4-7-10-12-15-20-26-39(27-21-16-13-11-8-5-2)47-41(45)28-22-17-14-18-23-34-43(36-37-44)35-24-29-42(46)48-40-32-30-38(31-33-40)25-19-9-6-3;1-5-9-12-15-19-24-30-39(8-4)47-42(46)34-29-36-43(37-38-44)35-28-23-18-22-27-33-41(45)48-40(31-25-20-16-13-10-6-2)32-26-21-17-14-11-7-3;1-5-8-11-14-18-23-29-38(4)46-40(44)33-28-35-42(36-37-43)34-27-22-17-21-26-32-41(45)47-39(30-24-19-15-12-9-6-2)31-25-20-16-13-10-7-3/h43-44,48H,5-42H2,1-4H3;42-43,47-48H,4-41H2,1-3H3;42-43,47H,5-41H2,1-4H3;40-42,46H,4-39H2,1-3H3;38-40,44H,4-37H2,1-3H3;39-40,44H,5-38H2,1-4H3;38-39,43H,5-37H2,1-4H3
InChIKeyZVMFDORIADHVFE-UHFFFAOYSA-N
MW4941.16 g/mol
LogP85.69
Rot. Bonds270

About 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

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 (PubChem CID 162231426) has the molecular formula C305H599N7O36 and a molecular weight of 4941.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameheptadecan-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
PubChem CID162231426
Molecular FormulaC305H599N7O36
Molecular Weight4941.16 g/mol
Exact Mass4937.53
IUPAC Nameheptadecan-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
SMILESCCCCCCCCC(C)OC(=O)CCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC(CCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC1CCC(CCCCC)CC1.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCCC)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CC(O)CO
InChIInChI=1S/C46H91NO5.C45H89NO6.C45H89NO5.C44H85NO5.C42H81NO5.C42H83NO5.C41H81NO5/c1-5-9-13-17-21-27-34-43(33-26-16-12-8-4)52-46(50)38-32-40-47(41-42-48)39-31-25-20-24-30-37-45(49)51-44(35-28-22-18-14-10-6-2)36-29-23-19-15-11-7-3;1-4-7-10-13-16-25-32-39-51-44(49)35-28-21-17-23-30-37-46(40-42(48)41-47)38-31-24-18-22-29-36-45(50)52-43(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-9-13-16-20-26-33-42(32-25-12-8-4)51-45(49)37-31-39-46(40-41-47)38-30-24-19-23-29-36-44(48)50-43(34-27-21-17-14-10-6-2)35-28-22-18-15-11-7-3;1-4-7-10-12-15-21-28-41(29-22-16-13-11-8-5-2)49-43(47)30-23-17-14-18-25-36-45(38-39-46)37-26-19-24-31-44(48)50-42-34-32-40(33-35-42)27-20-9-6-3;1-4-7-10-12-15-20-26-39(27-21-16-13-11-8-5-2)47-41(45)28-22-17-14-18-23-34-43(36-37-44)35-24-29-42(46)48-40-32-30-38(31-33-40)25-19-9-6-3;1-5-9-12-15-19-24-30-39(8-4)47-42(46)34-29-36-43(37-38-44)35-28-23-18-22-27-33-41(45)48-40(31-25-20-16-13-10-6-2)32-26-21-17-14-11-7-3;1-5-8-11-14-18-23-29-38(4)46-40(44)33-28-35-42(36-37-43)34-27-22-17-21-26-32-41(45)47-39(30-24-19-15-12-9-6-2)31-25-20-16-13-10-7-3/h43-44,48H,5-42H2,1-4H3;42-43,47-48H,4-41H2,1-3H3;42-43,47H,5-41H2,1-4H3;40-42,46H,4-39H2,1-3H3;38-40,44H,4-37H2,1-3H3;39-40,44H,5-38H2,1-4H3;38-39,43H,5-37H2,1-4H3
InChIKeyZVMFDORIADHVFE-UHFFFAOYSA-N
XLogP85.69
TPSA552.72 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds270
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004941.16
LogP ≤ 585.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;methyl 7-[8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoyloxy]octanoate;nonyl 8-[[8-(4-butylcyclohexyl)oxy-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 162015070
nonyl 9-[2-hydroxyethyl-(9-oxo-9-undecan-3-yloxynonyl)amino]nonanoate;octane
CID 171840807
pentyl 9-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]nonanoate
CID 171836806
nonyl 7-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]heptanoate
CID 163297080
decyl 8-[2-hydroxyethyl-(8-octadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 166923378
heptyl 8-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 163297074
heptadecan-9-yl 8-[2-hydroxyethyl-(7-nonoxy-7-oxoheptyl)amino]octanoate
CID 163297077
undecyl 8-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 163297075
heptadecan-9-yl 8-[2-hydroxyethyl-(7-oxo-7-undecoxyheptyl)amino]octanoate
CID 163297076
heptyl 8-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 155278365
hexyl 10-[(10-dodecan-6-yloxy-10-oxodecyl)-(2-hydroxyethyl)amino]decanoate
CID 167389121
nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 126697428

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC(C)OC(=O)CCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CC)OC(=O)CCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC(CCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC(CCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCC(=O)OC1CCC(CCCCC)CC1.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCCC)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CC(O)CO.
What is the InChIKey of 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?
The InChIKey is ZVMFDORIADHVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H91NO5.C45H89NO6.C45H89NO5.C44H85NO5.C42H81NO5.C42H83NO5.C41H81NO5/c1-5-9-13-17-21-27-34-43(33-26-16-12-8-4)52-46(50)38-32-40-47(41-42-48)39-31-25-20-24-30-37-45(49)51-44(35-28-22-18-14-10-6-2)36-29-23-19-15-11-7-3;1-4-7-10-13-16-25-32-39-51-44(49)35-28-21-17-23-30-37-46(40-42(48)41-47)38-31-24-18-22-29-36-45(50)52-43(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;1-5-9-13-16-20-26-33-42(32-25-12-8-4)51-45(49)37-31-39-46(40-41-47)38-30-24-19-23-29-36-44(48)50-43(34-27-21-17-14-10-6-2)35-28-22-18-15-11-7-3;1-4-7-10-12-15-21-28-41(29-22-16-13-11-8-5-2)49-43(47)30-23-17-14-18-25-36-45(38-39-46)37-26-19-24-31-44(48)50-42-34-32-40(33-35-42)27-20-9-6-3;1-4-7-10-12-15-20-26-39(27-21-16-13-11-8-5-2)47-41(45)28-22-17-14-18-23-34-43(36-37-44)35-24-29-42(46)48-40-32-30-38(31-33-40)25-19-9-6-3;1-5-9-12-15-19-24-30-39(8-4)47-42(46)34-29-36-43(37-38-44)35-28-23-18-22-27-33-41(45)48-40(31-25-20-16-13-10-6-2)32-26-21-17-14-11-7-3;1-5-8-11-14-18-23-29-38(4)46-40(44)33-28-35-42(36-37-43)34-27-22-17-21-26-32-41(45)47-39(30-24-19-15-12-9-6-2)31-25-20-16-13-10-7-3/h43-44,48H,5-42H2,1-4H3;42-43,47-48H,4-41H2,1-3H3;42-43,47H,5-41H2,1-4H3;40-42,46H,4-39H2,1-3H3;38-40,44H,4-37H2,1-3H3;39-40,44H,5-38H2,1-4H3;38-39,43H,5-37H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 4941.16 g/mol, XLogP of 85.69, 270 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162231426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).