heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate

C272H547N7O21 — CID 158415318

IUPACheptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC.CCCCCCCCCCCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCN(CCCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C45H91NO3.C45H87NO3.C41H83NO3.C37H75NO3.C36H73NO3.C35H71NO3.C33H67NO3/c2*1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-30-35-40-46(42-43-47)41-36-31-26-29-34-39-45(48)49-44(37-32-27-14-11-8-5-2)38-33-28-15-12-9-6-3;1-4-7-10-13-16-17-18-19-20-21-26-31-36-42(38-39-43)37-32-27-22-25-30-35-41(44)45-40(33-28-23-14-11-8-5-2)34-29-24-15-12-9-6-3;1-4-7-10-13-16-21-26-32-38(34-28-35-39)33-27-22-17-20-25-31-37(40)41-36(29-23-18-14-11-8-5-2)30-24-19-15-12-9-6-3;1-4-7-10-13-16-21-26-31-37(33-34-38)32-27-22-17-20-25-30-36(39)40-35(28-23-18-14-11-8-5-2)29-24-19-15-12-9-6-3;1-4-7-10-13-17-22-27-34(28-23-18-14-11-8-5-2)39-35(38)29-24-19-16-21-26-31-36(32-33-37)30-25-20-15-12-9-6-3;1-4-7-10-13-16-20-25-32(26-21-17-14-11-8-5-2)37-33(36)27-22-18-15-19-24-29-34(30-31-35)28-23-12-9-6-3/h44,47H,4-43H2,1-3H3;16-17,19-20,44,47H,4-15,18,21-43H2,1-3H3;40,43H,4-39H2,1-3H3;36,39H,4-35H2,1-3H3;35,38H,4-34H2,1-3H3;34,37H,4-33H2,1-3H3;32,35H,4-31H2,1-3H3/b;17-16-,20-19-;;;;;
InChIKeyGZVATMZUVBEIJK-CVYRFJRUSA-N
MW4252.40 g/mol
LogP82.85
Rot. Bonds249

About heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate

heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate (PubChem CID 158415318) has the molecular formula C272H547N7O21 and a molecular weight of 4252.40 g/mol. Its IUPAC name is heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate.

Molecular Properties

Compound Nameheptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate
PubChem CID158415318
Molecular FormulaC272H547N7O21
Molecular Weight4252.40 g/mol
Exact Mass4249.20
IUPAC Nameheptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC.CCCCCCCCCCCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCN(CCCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C45H91NO3.C45H87NO3.C41H83NO3.C37H75NO3.C36H73NO3.C35H71NO3.C33H67NO3/c2*1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-30-35-40-46(42-43-47)41-36-31-26-29-34-39-45(48)49-44(37-32-27-14-11-8-5-2)38-33-28-15-12-9-6-3;1-4-7-10-13-16-17-18-19-20-21-26-31-36-42(38-39-43)37-32-27-22-25-30-35-41(44)45-40(33-28-23-14-11-8-5-2)34-29-24-15-12-9-6-3;1-4-7-10-13-16-21-26-32-38(34-28-35-39)33-27-22-17-20-25-31-37(40)41-36(29-23-18-14-11-8-5-2)30-24-19-15-12-9-6-3;1-4-7-10-13-16-21-26-31-37(33-34-38)32-27-22-17-20-25-30-36(39)40-35(28-23-18-14-11-8-5-2)29-24-19-15-12-9-6-3;1-4-7-10-13-17-22-27-34(28-23-18-14-11-8-5-2)39-35(38)29-24-19-16-21-26-31-36(32-33-37)30-25-20-15-12-9-6-3;1-4-7-10-13-16-20-25-32(26-21-17-14-11-8-5-2)37-33(36)27-22-18-15-19-24-29-34(30-31-35)28-23-12-9-6-3/h44,47H,4-43H2,1-3H3;16-17,19-20,44,47H,4-15,18,21-43H2,1-3H3;40,43H,4-39H2,1-3H3;36,39H,4-35H2,1-3H3;35,38H,4-34H2,1-3H3;34,37H,4-33H2,1-3H3;32,35H,4-31H2,1-3H3/b;17-16-,20-19-;;;;;
InChIKeyGZVATMZUVBEIJK-CVYRFJRUSA-N
XLogP82.85
TPSA348.39 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds249
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004252.40
LogP ≤ 582.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate with MolForge

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Launch Full Analysis

Related Compounds

heptadecan-9-yl 8-[2-hydroxyethyl-[(9E,12E)-octadeca-9,12-dienyl]amino]octanoate
CID 163381112
[(Z)-non-2-enyl] 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 126717587
heptadecan-9-yl 8-[2-hydroxyethyl(6-hydroxyhexyl)amino]octanoate
CID 156709901
heptadecan-9-yl 8-[4-hydroxybutyl(2-hydroxyethyl)amino]octanoate
CID 156709912
heptadecan-9-yl 6-[2-hydroxyethyl(octyl)amino]hexanoate
CID 167496273
hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate
CID 155719917
octadecan-9-yl 9-[2-hydroxyethyl(pentyl)amino]nonanoate
CID 166072894
[(Z)-hept-2-enyl] 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-7-yloxyoctyl)amino]octanoate
CID 155278364
decan-5-yl 8-[heptyl(2-hydroxyethyl)amino]octanoate
CID 166162399
heptadecan-9-yl 8-[2-hydroxyethyl-[(Z)-octadec-9-enyl]amino]octanoate;7-[2-hydroxyethyl-(8-nonoxy-8-oxooctyl)amino]heptyl 2-octyldecanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-pentadecan-7-yloxyoctyl)amino]octanoate;nonyl 8-[2-hydroxyethyl-(8-oxo-8-tetradecan-6-yloxyoctyl)amino]octanoate
CID 162144335
[(6Z,9Z,12Z,26Z,29Z,32Z)-octatriaconta-6,9,12,26,29,32-hexaen-19-yl] 5-(dimethylamino)pentanoate
CID 139380835
undecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate
CID 167389138

Frequently Asked Questions

What is the IUPAC name of heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate?
The IUPAC name of heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate (CID 158415318) is heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate.
What is the SMILES notation for heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate?
The canonical SMILES for heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate is CCCCC/C=C\C/C=C\CCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCC.CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCO)CCCCCCCC.CCCCCCCCCCCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCN(CCCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.CCCCCCCCCN(CCO)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC.
What is the InChIKey of heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate?
The InChIKey is GZVATMZUVBEIJK-CVYRFJRUSA-N. The full InChI is InChI=1S/C45H91NO3.C45H87NO3.C41H83NO3.C37H75NO3.C36H73NO3.C35H71NO3.C33H67NO3/c2*1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-30-35-40-46(42-43-47)41-36-31-26-29-34-39-45(48)49-44(37-32-27-14-11-8-5-2)38-33-28-15-12-9-6-3;1-4-7-10-13-16-17-18-19-20-21-26-31-36-42(38-39-43)37-32-27-22-25-30-35-41(44)45-40(33-28-23-14-11-8-5-2)34-29-24-15-12-9-6-3;1-4-7-10-13-16-21-26-32-38(34-28-35-39)33-27-22-17-20-25-31-37(40)41-36(29-23-18-14-11-8-5-2)30-24-19-15-12-9-6-3;1-4-7-10-13-16-21-26-31-37(33-34-38)32-27-22-17-20-25-30-36(39)40-35(28-23-18-14-11-8-5-2)29-24-19-15-12-9-6-3;1-4-7-10-13-17-22-27-34(28-23-18-14-11-8-5-2)39-35(38)29-24-19-16-21-26-31-36(32-33-37)30-25-20-15-12-9-6-3;1-4-7-10-13-16-20-25-32(26-21-17-14-11-8-5-2)37-33(36)27-22-18-15-19-24-29-34(30-31-35)28-23-12-9-6-3/h44,47H,4-43H2,1-3H3;16-17,19-20,44,47H,4-15,18,21-43H2,1-3H3;40,43H,4-39H2,1-3H3;36,39H,4-35H2,1-3H3;35,38H,4-34H2,1-3H3;34,37H,4-33H2,1-3H3;32,35H,4-31H2,1-3H3/b;17-16-,20-19-;;;;;.
What are the key properties of heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate?
heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate has a molecular weight of 4252.40 g/mol, XLogP of 82.85, 249 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-9-yl 8-[hexyl(2-hydroxyethyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(nonyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienyl]amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octadecyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(octyl)amino]octanoate;heptadecan-9-yl 8-[2-hydroxyethyl(tetradecyl)amino]octanoate;heptadecan-9-yl 8-[3-hydroxypropyl(nonyl)amino]octanoate is sourced from PubChem (CID 158415318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).