heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate

C317H615N11O39 — CID 160939387

IUPACheptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
SMILESCCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN(C)C(C)=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN1CCCC1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCC)CC1
InChIInChI=1S/C49H94N2O5.C49H96N2O5.2C48H94N2O5.2C44H85NO7.C35H67NO5/c1-4-7-10-13-16-25-32-45-55-48(53)38-28-21-17-23-30-40-50(42-34-44-51-43-33-37-47(51)52)41-31-24-18-22-29-39-49(54)56-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-6-9-12-15-18-27-34-44-55-47(52)38-30-23-19-25-32-41-51(43-35-40-50-49(54)45(4)5)42-33-26-20-24-31-39-48(53)56-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-6-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49(5)45(4)51)42-33-26-20-24-31-39-48(53)55-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49-46(51)8-4)42-33-26-20-24-31-39-48(53)55-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)40(3)30-22-17-20-28-36-45(37-38-46)35-27-19-13-16-26-34-43(48)51-39-29-21-18-25-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)35-27-18-17-22-30-40(3)45(37-38-46)36-28-20-13-16-26-34-43(48)51-39-29-21-19-25-33-42(47)50-4;1-3-5-7-13-19-31-40-34(38)21-15-11-9-8-10-12-17-27-36(29-30-37)28-18-14-16-22-35(39)41-33-25-23-32(24-26-33)20-6-4-2/h46H,4-45H2,1-3H3;45-46H,6-44H2,1-5H3,(H,50,54);46H,6-44H2,1-5H3;45H,5-44H2,1-4H3,(H,49,51);2*40-41,46H,5-39H2,1-4H3;32-33,37H,3-31H2,1-2H3
InChIKeySUHPCIHUMHCBCY-UHFFFAOYSA-N
MW5205.45 g/mol
LogP86.15
Rot. Bonds282

About heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate

heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate (PubChem CID 160939387) has the molecular formula C317H615N11O39 and a molecular weight of 5205.45 g/mol. Its IUPAC name is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate.

Molecular Properties

Compound Nameheptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
PubChem CID160939387
Molecular FormulaC317H615N11O39
Molecular Weight5205.45 g/mol
Exact Mass5201.65
IUPAC Nameheptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
SMILESCCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN(C)C(C)=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN1CCCC1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCC)CC1
InChIInChI=1S/C49H94N2O5.C49H96N2O5.2C48H94N2O5.2C44H85NO7.C35H67NO5/c1-4-7-10-13-16-25-32-45-55-48(53)38-28-21-17-23-30-40-50(42-34-44-51-43-33-37-47(51)52)41-31-24-18-22-29-39-49(54)56-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-6-9-12-15-18-27-34-44-55-47(52)38-30-23-19-25-32-41-51(43-35-40-50-49(54)45(4)5)42-33-26-20-24-31-39-48(53)56-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-6-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49(5)45(4)51)42-33-26-20-24-31-39-48(53)55-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49-46(51)8-4)42-33-26-20-24-31-39-48(53)55-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)40(3)30-22-17-20-28-36-45(37-38-46)35-27-19-13-16-26-34-43(48)51-39-29-21-18-25-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)35-27-18-17-22-30-40(3)45(37-38-46)36-28-20-13-16-26-34-43(48)51-39-29-21-19-25-33-42(47)50-4;1-3-5-7-13-19-31-40-34(38)21-15-11-9-8-10-12-17-27-36(29-30-37)28-18-14-16-22-35(39)41-33-25-23-32(24-26-33)20-6-4-2/h46H,4-45H2,1-3H3;45-46H,6-44H2,1-5H3,(H,50,54);46H,6-44H2,1-5H3;45H,5-44H2,1-4H3,(H,49,51);2*40-41,46H,5-39H2,1-4H3;32-33,37H,3-31H2,1-2H3
InChIKeySUHPCIHUMHCBCY-UHFFFAOYSA-N
XLogP86.15
TPSA602.99 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds282
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005205.45
LogP ≤ 586.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

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-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]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]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;heptyl 10-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;(5-methoxy-5-oxopentyl) 10-[(8-heptadecan-9-yloxy-7-methyl-8-oxooctyl)-(2-hydroxyethyl)amino]decanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
CID 157110842
heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate
CID 161076415
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 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-hydroxyacetyl)amino]propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[(2-phenylmethoxyacetyl)amino]propyl]amino]octanoate
CID 159116284
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
heptyl 8-[3-[acetyl(methyl)amino]propyl-(8-decan-5-yloxy-8-oxooctyl)amino]octanoate
CID 167418943
hexadecan-8-yl 8-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonanoate
CID 146387444
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
heptadecan-9-yl 8-[2-hydroxyethyl-[6-[methyl(octyl)amino]-6-oxohexyl]amino]octanoate;tridecan-7-yl 10-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]decanoate
CID 161496164
nonadecan-9-yl 10-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl-(9-oxo-9-undecoxynonyl)amino]decanoate
CID 169302348
heptyl 8-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 155278365
decyl 8-[2-hydroxyethyl-(8-octadecan-9-yloxy-8-oxooctyl)amino]octanoate
CID 166923378

Frequently Asked Questions

What is the IUPAC name of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?
The IUPAC name of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate (CID 160939387) is heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate.
What is the SMILES notation for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?
The canonical SMILES for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate is CCCCCCCCC(CCCCCCCC)OC(=O)C(C)CCCCCCN(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCC(C)N(CCO)CCCCCCCC(=O)OCCCCCCC(=O)OC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN(C)C(C)=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCN1CCCC1=O.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)C(C)C.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCCNC(=O)CC.CCCCCCCOC(=O)CCCCCCCCCN(CCO)CCCCCC(=O)OC1CCC(CCCC)CC1.
What is the InChIKey of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?
The InChIKey is SUHPCIHUMHCBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H94N2O5.C49H96N2O5.2C48H94N2O5.2C44H85NO7.C35H67NO5/c1-4-7-10-13-16-25-32-45-55-48(53)38-28-21-17-23-30-40-50(42-34-44-51-43-33-37-47(51)52)41-31-24-18-22-29-39-49(54)56-46(35-26-19-14-11-8-5-2)36-27-20-15-12-9-6-3;1-6-9-12-15-18-27-34-44-55-47(52)38-30-23-19-25-32-41-51(43-35-40-50-49(54)45(4)5)42-33-26-20-24-31-39-48(53)56-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-6-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49(5)45(4)51)42-33-26-20-24-31-39-48(53)55-46(36-28-21-16-13-10-7-2)37-29-22-17-14-11-8-3;1-5-9-12-15-18-27-34-44-54-47(52)38-30-23-19-25-32-41-50(43-35-40-49-46(51)8-4)42-33-26-20-24-31-39-48(53)55-45(36-28-21-16-13-10-6-2)37-29-22-17-14-11-7-3;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)40(3)30-22-17-20-28-36-45(37-38-46)35-27-19-13-16-26-34-43(48)51-39-29-21-18-25-33-42(47)50-4;1-5-7-9-11-14-23-31-41(32-24-15-12-10-8-6-2)52-44(49)35-27-18-17-22-30-40(3)45(37-38-46)36-28-20-13-16-26-34-43(48)51-39-29-21-19-25-33-42(47)50-4;1-3-5-7-13-19-31-40-34(38)21-15-11-9-8-10-12-17-27-36(29-30-37)28-18-14-16-22-35(39)41-33-25-23-32(24-26-33)20-6-4-2/h46H,4-45H2,1-3H3;45-46H,6-44H2,1-5H3,(H,50,54);46H,6-44H2,1-5H3;45H,5-44H2,1-4H3,(H,49,51);2*40-41,46H,5-39H2,1-4H3;32-33,37H,3-31H2,1-2H3.
What are the key properties of heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate?
heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate has a molecular weight of 5205.45 g/mol, XLogP of 86.15, 282 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]-2-methyloctanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[8-(7-methoxy-7-oxoheptoxy)-8-oxooctyl]amino]nonanoate;heptyl 10-[[6-(4-butylcyclohexyl)oxy-6-oxohexyl]-(2-hydroxyethyl)amino]decanoate;nonyl 8-[3-[acetyl(methyl)amino]propyl-(8-heptadecan-9-yloxy-8-oxooctyl)amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-methylpropanoylamino)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]octanoate;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-(propanoylamino)propyl]amino]octanoate is sourced from PubChem (CID 160939387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).