2-(diethylamino)ethyl octadecanoate

C24H49NO2 — CID 18512

IUPAC2-(diethylamino)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC
InChIInChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3
InChIKeyQZJDYFVPLXBWTK-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.13
Rot. Bonds21

About 2-(diethylamino)ethyl octadecanoate

2-(diethylamino)ethyl octadecanoate (PubChem CID 18512) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 2-(diethylamino)ethyl octadecanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl octadecanoate
PubChem CID18512
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Name2-(diethylamino)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC
InChIInChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3
InChIKeyQZJDYFVPLXBWTK-UHFFFAOYSA-N
XLogP7.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethanolamine Laurate
CID 62441
Tetradecanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
CID 61993
Distearoylethyl dimonium chloride
CID 105818
Triethanolamine palmitate
CID 162574
Dipalmitoylethyl dimonium chloride
CID 3024757
2-Lauroyloxyethyltrimethylammonium chloride
CID 91343
Myristoyl Ethyltrimonium Methosulfate
CID 11224050
Palmitoyl Ethyltrimonium Methosulfate
CID 11270956
Stearoyl Ethyltrimonium Methosulfate
CID 11329142
Lauroyl Ethyltrimonium Methosulfate
CID 91936845
2-((2-Hydroxyethyl)octadecylamino)ethyl stearate
CID 104214
Distearoylethyl hydroxyethylmonium methosulfate
CID 21124016

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl octadecanoate?
The IUPAC name of 2-(diethylamino)ethyl octadecanoate (CID 18512) is 2-(diethylamino)ethyl octadecanoate.
What is the SMILES notation for 2-(diethylamino)ethyl octadecanoate?
The canonical SMILES for 2-(diethylamino)ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl octadecanoate?
The InChIKey is QZJDYFVPLXBWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl octadecanoate?
2-(diethylamino)ethyl octadecanoate has a molecular weight of 383.66 g/mol, XLogP of 7.13, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl octadecanoate is sourced from PubChem (CID 18512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).