decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate

C216H430N7O24P — CID 158494282

IUPACdecan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)C1CC1.CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCN(C)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C45H92NO7P.C45H87NO5.C44H88N2O4.C43H86N2O4.C39H77NO4/c1-4-7-10-13-18-25-32-41-50-45(48)36-29-22-21-24-31-38-46(39-40-47)37-30-23-17-16-20-28-35-44-53-54(49,51-42-33-26-15-12-9-6-3)52-43-34-27-19-14-11-8-5-2;1-4-7-10-13-17-23-30-42(31-24-18-14-11-8-5-2)50-44(48)33-26-20-16-21-28-37-46(39-40-47)38-29-22-27-34-45(49)51-43(41-35-36-41)32-25-19-15-12-9-6-3;1-5-8-11-14-19-26-33-42(4)50-44(49)35-28-21-18-23-30-37-45(40-41-47)36-29-22-17-20-27-34-43(48)46(38-31-24-15-12-9-6-2)39-32-25-16-13-10-7-3;1-4-7-10-13-16-17-18-24-32-41-49-43(48)34-27-25-29-36-44(39-40-46)35-28-21-19-20-26-33-42(47)45(37-30-22-14-11-8-5-2)38-31-23-15-12-9-6-3;1-5-8-11-14-17-23-28-36-43-38(41)33-29-35-40(4)34-27-22-18-21-26-32-39(42)44-37(30-24-19-15-12-9-6-2)31-25-20-16-13-10-7-3/h47H,4-44H2,1-3H3;41-43,47H,4-40H2,1-3H3;42,47H,5-41H2,1-4H3;46H,4-41H2,1-3H3;37H,5-36H2,1-4H3
InChIKeyHJBUHTMPSFMVQR-UHFFFAOYSA-N
MW3540.82 g/mol
LogP62.33
Rot. Bonds201

About decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate

decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate (PubChem CID 158494282) has the molecular formula C216H430N7O24P and a molecular weight of 3540.82 g/mol. Its IUPAC name is decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate.

Molecular Properties

Compound Namedecan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate
PubChem CID158494282
Molecular FormulaC216H430N7O24P
Molecular Weight3540.82 g/mol
Exact Mass3538.24
IUPAC Namedecan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)C1CC1.CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCN(C)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C45H92NO7P.C45H87NO5.C44H88N2O4.C43H86N2O4.C39H77NO4/c1-4-7-10-13-18-25-32-41-50-45(48)36-29-22-21-24-31-38-46(39-40-47)37-30-23-17-16-20-28-35-44-53-54(49,51-42-33-26-15-12-9-6-3)52-43-34-27-19-14-11-8-5-2;1-4-7-10-13-17-23-30-42(31-24-18-14-11-8-5-2)50-44(48)33-26-20-16-21-28-37-46(39-40-47)38-29-22-27-34-45(49)51-43(41-35-36-41)32-25-19-15-12-9-6-3;1-5-8-11-14-19-26-33-42(4)50-44(49)35-28-21-18-23-30-37-45(40-41-47)36-29-22-17-20-27-34-43(48)46(38-31-24-15-12-9-6-2)39-32-25-16-13-10-7-3;1-4-7-10-13-16-17-18-24-32-41-49-43(48)34-27-25-29-36-44(39-40-46)35-28-21-19-20-26-33-42(47)45(37-30-22-14-11-8-5-2)38-31-23-15-12-9-6-3;1-5-8-11-14-17-23-28-36-43-38(41)33-29-35-40(4)34-27-22-18-21-26-32-39(42)44-37(30-24-19-15-12-9-6-2)31-25-20-16-13-10-7-3/h47H,4-44H2,1-3H3;41-43,47H,4-40H2,1-3H3;42,47H,5-41H2,1-4H3;46H,4-41H2,1-3H3;37H,5-36H2,1-4H3
InChIKeyHJBUHTMPSFMVQR-UHFFFAOYSA-N
XLogP62.33
TPSA366.60 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds201
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003540.82
LogP ≤ 562.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate with MolForge

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Related Compounds

heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]propanoic acid;nonyl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-methylamino]octanoate;nonyl 8-[9-[heptoxy(nonoxy)phosphoryl]oxynonyl-(2-hydroxyethyl)amino]octanoate
CID 158228772
decan-2-yl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;7-[(8-decan-2-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]heptyl 2-octyldecanoate;9-[9-(2-hexyldecanoyloxy)nonyl-(2-hydroxyethyl)amino]nonyl 2-hexyldecanoate;9-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]nonyl 2-hexyldecanoate;nonyl 8-[7-dioctoxyphosphoryloxyheptyl(2-hydroxyethyl)amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate
CID 159945272
hexadecan-8-yl 8-[[8-(1-cyclopropylhexoxy)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 155278414
heptadecan-9-yl 8-[2-hydroxyethyl-[8-[methyl(octyl)amino]-8-oxooctyl]amino]octanoate;nonyl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 167695416
heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;4-O-[6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]hexyl] 1-O-hexyl (Z)-but-2-enedioate;4-O-[6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]hexyl] 1-O-hexyl (E)-but-2-enedioate;3-[(8-heptadecan-9-yloxy-8-oxooctyl)-(8-nonoxy-8-oxooctyl)amino]propanoic acid;nonyl 8-[9-di(nonoxy)phosphoryloxynonyl-(2-hydroxyethyl)amino]octanoate
CID 167555278
pentyl 9-[(4-heptadecan-9-yloxy-4-oxobutyl)-(2-hydroxyethyl)amino]nonanoate
CID 171836806
undecan-3-yl 8-[[8-(1-cyclopropylnonoxy)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate
CID 129232754
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
heptadecan-9-yl 8-[2-hydroxyethyl-(7-nonoxy-7-oxoheptyl)amino]octanoate
CID 163297077
nonyl 7-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]heptanoate
CID 163297080
heptyl 8-[(7-heptadecan-9-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 163297074

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?
The IUPAC name of decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate (CID 158494282) is decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate.
What is the SMILES notation for decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?
The canonical SMILES for decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate is CCCCCCCCC(C)OC(=O)CCCCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC(=O)OC(CCCCCCCC)C1CC1.CCCCCCCCCCCOC(=O)CCCCCN(CCO)CCCCCCCC(=O)N(CCCCCCCC)CCCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCN(C)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?
The InChIKey is HJBUHTMPSFMVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H92NO7P.C45H87NO5.C44H88N2O4.C43H86N2O4.C39H77NO4/c1-4-7-10-13-18-25-32-41-50-45(48)36-29-22-21-24-31-38-46(39-40-47)37-30-23-17-16-20-28-35-44-53-54(49,51-42-33-26-15-12-9-6-3)52-43-34-27-19-14-11-8-5-2;1-4-7-10-13-17-23-30-42(31-24-18-14-11-8-5-2)50-44(48)33-26-20-16-21-28-37-46(39-40-47)38-29-22-27-34-45(49)51-43(41-35-36-41)32-25-19-15-12-9-6-3;1-5-8-11-14-19-26-33-42(4)50-44(49)35-28-21-18-23-30-37-45(40-41-47)36-29-22-17-20-27-34-43(48)46(38-31-24-15-12-9-6-2)39-32-25-16-13-10-7-3;1-4-7-10-13-16-17-18-24-32-41-49-43(48)34-27-25-29-36-44(39-40-46)35-28-21-19-20-26-33-42(47)45(37-30-22-14-11-8-5-2)38-31-23-15-12-9-6-3;1-5-8-11-14-17-23-28-36-43-38(41)33-29-35-40(4)34-27-22-18-21-26-32-39(42)44-37(30-24-19-15-12-9-6-2)31-25-20-16-13-10-7-3/h47H,4-44H2,1-3H3;41-43,47H,4-40H2,1-3H3;42,47H,5-41H2,1-4H3;46H,4-41H2,1-3H3;37H,5-36H2,1-4H3.
What are the key properties of decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate?
decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate has a molecular weight of 3540.82 g/mol, XLogP of 62.33, 201 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 8-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[[6-(1-cyclopropylnonoxy)-6-oxohexyl]-(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[methyl-(4-nonoxy-4-oxobutyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-[9-[nonoxy(octoxy)phosphoryl]oxynonyl]amino]octanoate;undecyl 6-[[8-(dioctylamino)-8-oxooctyl]-(2-hydroxyethyl)amino]hexanoate is sourced from PubChem (CID 158494282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).