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

C216H420N5O31P — CID 167555278

IUPACheptadecan-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
SMILESCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCOC(=O)/C=C/C(=O)OCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCOC(=O)/C=C\C(=O)OCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCC(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOP(=O)(OCCCCCCCCC)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCN(C)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C46H94NO7P.C45H87NO6.2C43H81NO7.C39H77NO4/c1-4-7-10-13-18-26-33-42-51-46(49)37-30-23-22-25-32-39-47(40-41-48)38-31-24-17-16-21-29-36-45-54-55(50,52-43-34-27-19-14-11-8-5-2)53-44-35-28-20-15-12-9-6-3;1-4-7-10-13-16-25-32-41-51-44(49)35-28-21-17-23-30-38-46(40-37-43(47)48)39-31-24-18-22-29-36-45(50)52-42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;2*1-4-7-10-13-16-22-29-40(30-23-17-14-11-8-5-2)51-43(48)31-24-18-15-19-25-34-44(36-37-45)35-26-20-21-28-39-50-42(47)33-32-41(46)49-38-27-12-9-6-3;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/h48H,4-45H2,1-3H3;42H,4-41H2,1-3H3,(H,47,48);2*32-33,40,45H,4-31,34-39H2,1-3H3;37H,5-36H2,1-4H3/b;;33-32+;33-32-;
InChIKeyCXWCNMBUACDSIO-RJCDGWGESA-N
MW3614.71 g/mol
LogP60.84
Rot. Bonds202

About 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

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 (PubChem CID 167555278) has the molecular formula C216H420N5O31P and a molecular weight of 3614.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameheptadecan-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
PubChem CID167555278
Molecular FormulaC216H420N5O31P
Molecular Weight3614.71 g/mol
Exact Mass3612.12
IUPAC Nameheptadecan-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
SMILESCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCOC(=O)/C=C/C(=O)OCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCOC(=O)/C=C\C(=O)OCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCC(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOP(=O)(OCCCCCCCCC)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCN(C)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C46H94NO7P.C45H87NO6.2C43H81NO7.C39H77NO4/c1-4-7-10-13-18-26-33-42-51-46(49)37-30-23-22-25-32-39-47(40-41-48)38-31-24-17-16-21-29-36-45-54-55(50,52-43-34-27-19-14-11-8-5-2)53-44-35-28-20-15-12-9-6-3;1-4-7-10-13-16-25-32-41-51-44(49)35-28-21-17-23-30-38-46(40-37-43(47)48)39-31-24-18-22-29-36-45(50)52-42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;2*1-4-7-10-13-16-22-29-40(30-23-17-14-11-8-5-2)51-43(48)31-24-18-15-19-25-34-44(36-37-45)35-26-20-21-28-39-50-42(47)33-32-41(46)49-38-27-12-9-6-3;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/h48H,4-45H2,1-3H3;42H,4-41H2,1-3H3,(H,47,48);2*32-33,40,45H,4-31,34-39H2,1-3H3;37H,5-36H2,1-4H3/b;;33-32+;33-32-;
InChIKeyCXWCNMBUACDSIO-RJCDGWGESA-N
XLogP60.84
TPSA448.25 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds202
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003614.71
LogP ≤ 560.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-O-[6-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]hexyl] 1-O-hexyl (E)-but-2-enedioate
CID 142431907
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
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
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
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCOC(=O)/C=C/C(=O)OCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCOC(=O)/C=C\C(=O)OCCCCCC.CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCC(=O)O.CCCCCCCCCOC(=O)CCCCCCCN(CCO)CCCCCCCCCOP(=O)(OCCCCCCCCC)OCCCCCCCCC.CCCCCCCCCOC(=O)CCCN(C)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 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?
The InChIKey is CXWCNMBUACDSIO-RJCDGWGESA-N. The full InChI is InChI=1S/C46H94NO7P.C45H87NO6.2C43H81NO7.C39H77NO4/c1-4-7-10-13-18-26-33-42-51-46(49)37-30-23-22-25-32-39-47(40-41-48)38-31-24-17-16-21-29-36-45-54-55(50,52-43-34-27-19-14-11-8-5-2)53-44-35-28-20-15-12-9-6-3;1-4-7-10-13-16-25-32-41-51-44(49)35-28-21-17-23-30-38-46(40-37-43(47)48)39-31-24-18-22-29-36-45(50)52-42(33-26-19-14-11-8-5-2)34-27-20-15-12-9-6-3;2*1-4-7-10-13-16-22-29-40(30-23-17-14-11-8-5-2)51-43(48)31-24-18-15-19-25-34-44(36-37-45)35-26-20-21-28-39-50-42(47)33-32-41(46)49-38-27-12-9-6-3;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/h48H,4-45H2,1-3H3;42H,4-41H2,1-3H3,(H,47,48);2*32-33,40,45H,4-31,34-39H2,1-3H3;37H,5-36H2,1-4H3/b;;33-32+;33-32-;.
What are the key properties of 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?
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 has a molecular weight of 3614.71 g/mol, XLogP of 60.84, 202 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167555278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).