hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate

C30H61NO3 — CID 155719917

IUPAChexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate
SMILESCCCCCCCCC(CCCCCCC)OC(=O)CCCCCN(CCO)CCCCCC
InChIInChI=1S/C30H61NO3/c1-4-7-10-13-15-18-23-29(22-17-14-11-8-5-2)34-30(33)24-19-16-21-26-31(27-28-32)25-20-12-9-6-3/h29,32H,4-28H2,1-3H3
InChIKeyMTOSWRZKHULEEJ-UHFFFAOYSA-N
MW483.82 g/mol
LogP8.44
Rot. Bonds27

About hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate

hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate (PubChem CID 155719917) has the molecular formula C30H61NO3 and a molecular weight of 483.82 g/mol. Its IUPAC name is hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate.

Molecular Properties

Compound Namehexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate
PubChem CID155719917
Molecular FormulaC30H61NO3
Molecular Weight483.82 g/mol
Exact Mass483.47
IUPAC Namehexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate
SMILESCCCCCCCCC(CCCCCCC)OC(=O)CCCCCN(CCO)CCCCCC
InChIInChI=1S/C30H61NO3/c1-4-7-10-13-15-18-23-29(22-17-14-11-8-5-2)34-30(33)24-19-16-21-26-31(27-28-32)25-20-12-9-6-3/h29,32H,4-28H2,1-3H3
InChIKeyMTOSWRZKHULEEJ-UHFFFAOYSA-N
XLogP8.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.82
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate 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 6-[2-hydroxyethyl(octyl)amino]hexanoate
CID 167496273
octadecan-9-yl 9-[2-hydroxyethyl(pentyl)amino]nonanoate
CID 166072894
decan-5-yl 8-[heptyl(2-hydroxyethyl)amino]octanoate
CID 166162399
undecan-4-yl 6-[(6-heptadecan-9-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoate
CID 167389138
heptadecan-9-yl 8-[2-hydroxyethyl(6-hydroxyhexyl)amino]octanoate
CID 156709901
nonan-4-yl 8-[(8-dodecan-6-yloxy-8-oxooctyl)-(2-hydroxyethyl)amino]octanoate
CID 155278478
heptadecan-9-yl 8-[4-hydroxybutyl(2-hydroxyethyl)amino]octanoate
CID 156709912
heptadecan-9-yl 8-[2-hydroxyethyl-(5-oxo-5-undecan-3-yloxypentyl)amino]octanoate
CID 153439718
heptadecan-9-yl 8-[(6-decan-2-yloxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoate
CID 126717382
heptadecan-9-yl 8-[6,10-dimethyloctadecyl(2-hydroxyethyl)amino]octanoate
CID 155782414
heptadecan-9-yl 8-[(7-decan-2-yloxy-7-oxoheptyl)-(2-hydroxyethyl)amino]octanoate
CID 155275722
heptadecan-9-yl 8-[2-hydroxyethyl(3-pentoxypropyl)amino]octanoate
CID 126717421

Frequently Asked Questions

What is the IUPAC name of hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate?
The IUPAC name of hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate (CID 155719917) is hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate.
What is the SMILES notation for hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate?
The canonical SMILES for hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate is CCCCCCCCC(CCCCCCC)OC(=O)CCCCCN(CCO)CCCCCC.
What is the InChIKey of hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate?
The InChIKey is MTOSWRZKHULEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO3/c1-4-7-10-13-15-18-23-29(22-17-14-11-8-5-2)34-30(33)24-19-16-21-26-31(27-28-32)25-20-12-9-6-3/h29,32H,4-28H2,1-3H3.
What are the key properties of hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate?
hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate has a molecular weight of 483.82 g/mol, XLogP of 8.44, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-8-yl 6-[hexyl(2-hydroxyethyl)amino]hexanoate is sourced from PubChem (CID 155719917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).