4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate

C291H555N11O29 — CID 159457100

IUPAC4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate
SMILESCCCCCCCCCC(=O)OC(C)CCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCC(=O)OC(C)CCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCC(=O)OCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1C(=O)c2ccccc2C1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(C)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C56H103N3O4.C52H90N2O6.C49H97N3O4.2C45H89NO5.C44H87NO5/c1-5-8-11-14-17-26-33-50-62-55(60)36-29-22-18-24-31-42-57(44-45-58-46-48-59(49-47-58)51-53-40-38-52(4)39-41-53)43-32-25-19-23-30-37-56(61)63-54(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-13-16-25-34-45-59-49(55)39-28-21-17-23-32-41-53(43-44-54-51(57)47-37-30-31-38-48(47)52(54)58)42-33-24-18-22-29-40-50(56)60-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-5-8-11-14-17-26-33-46-55-48(53)36-29-22-18-24-31-38-51(44-45-52-42-40-50(4)41-43-52)39-32-25-19-23-30-37-49(54)56-47(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-5-8-11-14-17-21-29-36-44(48)50-42(4)33-26-23-25-32-39-46(40-41-47)38-31-24-18-22-30-37-45(49)51-43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-5-8-11-14-17-18-19-20-21-25-30-35-44(48)50-42(4)37-39-46(40-41-47)38-32-27-22-26-31-36-45(49)51-43(33-28-23-15-12-9-6-2)34-29-24-16-13-10-7-3;1-4-7-10-13-16-17-18-19-20-24-29-35-43(47)49-41-32-38-45(39-40-46)37-31-26-21-25-30-36-44(48)50-42(33-27-22-14-11-8-5-2)34-28-23-15-12-9-6-3/h38-41,54H,5-37,42-51H2,1-4H3;30-31,37-38,46H,4-29,32-36,39-45H2,1-3H3;47H,5-46H2,1-4H3;2*42-43,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3
InChIKeyLUCQZWAANOODCM-UHFFFAOYSA-N
MW4672.69 g/mol
LogP80.48
Rot. Bonds251

About 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate

4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate (PubChem CID 159457100) has the molecular formula C291H555N11O29 and a molecular weight of 4672.69 g/mol. Its IUPAC name is 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate.

Molecular Properties

Compound Name4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate
PubChem CID159457100
Molecular FormulaC291H555N11O29
Molecular Weight4672.69 g/mol
Exact Mass4669.23
IUPAC Name4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate
SMILESCCCCCCCCCC(=O)OC(C)CCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCC(=O)OC(C)CCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCC(=O)OCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1C(=O)c2ccccc2C1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(C)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C56H103N3O4.C52H90N2O6.C49H97N3O4.2C45H89NO5.C44H87NO5/c1-5-8-11-14-17-26-33-50-62-55(60)36-29-22-18-24-31-42-57(44-45-58-46-48-59(49-47-58)51-53-40-38-52(4)39-41-53)43-32-25-19-23-30-37-56(61)63-54(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-13-16-25-34-45-59-49(55)39-28-21-17-23-32-41-53(43-44-54-51(57)47-37-30-31-38-48(47)52(54)58)42-33-24-18-22-29-40-50(56)60-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-5-8-11-14-17-26-33-46-55-48(53)36-29-22-18-24-31-38-51(44-45-52-42-40-50(4)41-43-52)39-32-25-19-23-30-37-49(54)56-47(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-5-8-11-14-17-21-29-36-44(48)50-42(4)33-26-23-25-32-39-46(40-41-47)38-31-24-18-22-30-37-45(49)51-43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-5-8-11-14-17-18-19-20-21-25-30-35-44(48)50-42(4)37-39-46(40-41-47)38-32-27-22-26-31-36-45(49)51-43(33-28-23-15-12-9-6-2)34-29-24-16-13-10-7-3;1-4-7-10-13-16-17-18-19-20-24-29-35-43(47)49-41-32-38-45(39-40-46)37-31-26-21-25-30-36-44(48)50-42(33-27-22-14-11-8-5-2)34-28-23-15-12-9-6-3/h38-41,54H,5-37,42-51H2,1-4H3;30-31,37-38,46H,4-29,32-36,39-45H2,1-3H3;47H,5-46H2,1-4H3;2*42-43,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3
InChIKeyLUCQZWAANOODCM-UHFFFAOYSA-N
XLogP80.48
TPSA446.07 Ų
H-Bond Donors3
H-Bond Acceptors39
Rotatable Bonds251
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004672.69
LogP ≤ 580.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate with MolForge

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Launch Full Analysis

Related Compounds

4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;methane;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate
CID 157325180
nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 126717392
pentyl 8-[2-(4-methylpiperazin-1-yl)ethyl-(8-oxo-8-tetradecan-7-yloxyoctyl)amino]octanoate
CID 167418965
2-amino-6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]hexanoic acid;heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(nonyl)amino]-8-oxooctyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-(6-oxo-6-pentoxyhexyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-morpholin-4-ylethyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(4,4,4-trifluorobutyl)amino]octanoate
CID 157234110
4-(4-hexylphenyl)butyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 169030231
heptadecan-9-yl 8-[2-hydroxyethyl-(7-nonoxy-7-oxoheptyl)amino]octanoate
CID 163297077
heptyl 8-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 163297074
nonyl 7-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]heptanoate
CID 163297080
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

Frequently Asked Questions

What is the IUPAC name of 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate?
The IUPAC name of 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate (CID 159457100) is 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate.
What is the SMILES notation for 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate?
The canonical SMILES for 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate is CCCCCCCCCC(=O)OC(C)CCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCC(=O)OC(C)CCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCC(=O)OCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1C(=O)c2ccccc2C1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(C)CC1.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCN1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate?
The InChIKey is LUCQZWAANOODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H103N3O4.C52H90N2O6.C49H97N3O4.2C45H89NO5.C44H87NO5/c1-5-8-11-14-17-26-33-50-62-55(60)36-29-22-18-24-31-42-57(44-45-58-46-48-59(49-47-58)51-53-40-38-52(4)39-41-53)43-32-25-19-23-30-37-56(61)63-54(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-4-7-10-13-16-25-34-45-59-49(55)39-28-21-17-23-32-41-53(43-44-54-51(57)47-37-30-31-38-48(47)52(54)58)42-33-24-18-22-29-40-50(56)60-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-5-8-11-14-17-26-33-46-55-48(53)36-29-22-18-24-31-38-51(44-45-52-42-40-50(4)41-43-52)39-32-25-19-23-30-37-49(54)56-47(34-27-20-15-12-9-6-2)35-28-21-16-13-10-7-3;1-5-8-11-14-17-21-29-36-44(48)50-42(4)33-26-23-25-32-39-46(40-41-47)38-31-24-18-22-30-37-45(49)51-43(34-27-19-15-12-9-6-2)35-28-20-16-13-10-7-3;1-5-8-11-14-17-18-19-20-21-25-30-35-44(48)50-42(4)37-39-46(40-41-47)38-32-27-22-26-31-36-45(49)51-43(33-28-23-15-12-9-6-2)34-29-24-16-13-10-7-3;1-4-7-10-13-16-17-18-19-20-24-29-35-43(47)49-41-32-38-45(39-40-46)37-31-26-21-25-30-36-44(48)50-42(33-27-22-14-11-8-5-2)34-28-23-15-12-9-6-3/h38-41,54H,5-37,42-51H2,1-4H3;30-31,37-38,46H,4-29,32-36,39-45H2,1-3H3;47H,5-46H2,1-4H3;2*42-43,47H,5-41H2,1-4H3;42,46H,4-41H2,1-3H3.
What are the key properties of 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate?
4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate has a molecular weight of 4672.69 g/mol, XLogP of 80.48, 251 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]butan-2-yl tetradecanoate;8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octan-2-yl decanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]propyl tetradecanoate;nonyl 8-[2-(1,3-dioxoisoindol-2-yl)ethyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[2-(4-methylpiperazin-1-yl)ethyl]amino]octanoate is sourced from PubChem (CID 159457100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).