2-(dibutylamino)ethyl 4-hydroxyundecanoate

C21H43NO3 — CID 153313038

IUPAC2-(dibutylamino)ethyl 4-hydroxyundecanoate
SMILESCCCCCCCC(O)CCC(=O)OCCN(CCCC)CCCC
InChIInChI=1S/C21H43NO3/c1-4-7-10-11-12-13-20(23)14-15-21(24)25-19-18-22(16-8-5-2)17-9-6-3/h20,23H,4-19H2,1-3H3
InChIKeyIOAPSLYOCCMRJD-UHFFFAOYSA-N
MW357.58 g/mol
LogP4.93
Rot. Bonds18

About 2-(dibutylamino)ethyl 4-hydroxyundecanoate

2-(dibutylamino)ethyl 4-hydroxyundecanoate (PubChem CID 153313038) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl 4-hydroxyundecanoate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl 4-hydroxyundecanoate
PubChem CID153313038
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name2-(dibutylamino)ethyl 4-hydroxyundecanoate
SMILESCCCCCCCC(O)CCC(=O)OCCN(CCCC)CCCC
InChIInChI=1S/C21H43NO3/c1-4-7-10-11-12-13-20(23)14-15-21(24)25-19-18-22(16-8-5-2)17-9-6-3/h20,23H,4-19H2,1-3H3
InChIKeyIOAPSLYOCCMRJD-UHFFFAOYSA-N
XLogP4.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dibutylamino)ethyl 4-hydroxyundecanoate 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

2-[butyl(oxido)amino]ethyl 4-hydroxyundecanoate
CID 163953106
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
2-[2-[di(nonyl)amino]ethyl-nonylamino]ethyl tetradecanoate
CID 137363747
octahexacontyl 12-hydroxyoctadecanoate
CID 177467118
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051
bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
CID 169321458
3-hydroxyheptyl octanoate
CID 54307243
methyl 4-hydroxyoctadecanoate
CID 559005

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl 4-hydroxyundecanoate?
The IUPAC name of 2-(dibutylamino)ethyl 4-hydroxyundecanoate (CID 153313038) is 2-(dibutylamino)ethyl 4-hydroxyundecanoate.
What is the SMILES notation for 2-(dibutylamino)ethyl 4-hydroxyundecanoate?
The canonical SMILES for 2-(dibutylamino)ethyl 4-hydroxyundecanoate is CCCCCCCC(O)CCC(=O)OCCN(CCCC)CCCC.
What is the InChIKey of 2-(dibutylamino)ethyl 4-hydroxyundecanoate?
The InChIKey is IOAPSLYOCCMRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO3/c1-4-7-10-11-12-13-20(23)14-15-21(24)25-19-18-22(16-8-5-2)17-9-6-3/h20,23H,4-19H2,1-3H3.
What are the key properties of 2-(dibutylamino)ethyl 4-hydroxyundecanoate?
2-(dibutylamino)ethyl 4-hydroxyundecanoate has a molecular weight of 357.58 g/mol, XLogP of 4.93, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl 4-hydroxyundecanoate is sourced from PubChem (CID 153313038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).