N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride

C24H51ClN2O3 — CID 11487772

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN.Cl
InChIInChI=1S/C24H50N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-19-21-29-23-22-28-20-18-25;/h2-23,25H2,1H3,(H,26,27);1H
InChIKeyIUOIDTFHIJRIMS-UHFFFAOYSA-N
MW451.14 g/mol
LogP5.78
Rot. Bonds24

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride (PubChem CID 11487772) has the molecular formula C24H51ClN2O3 and a molecular weight of 451.14 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride
PubChem CID11487772
Molecular FormulaC24H51ClN2O3
Molecular Weight451.14 g/mol
Exact Mass450.36
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN.Cl
InChIInChI=1S/C24H50N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-19-21-29-23-22-28-20-18-25;/h2-23,25H2,1H3,(H,26,27);1H
InChIKeyIUOIDTFHIJRIMS-UHFFFAOYSA-N
XLogP5.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.14
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride (CID 11487772) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride is CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN.Cl.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride?
The InChIKey is IUOIDTFHIJRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)26-19-21-29-23-22-28-20-18-25;/h2-23,25H2,1H3,(H,26,27);1H.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride has a molecular weight of 451.14 g/mol, XLogP of 5.78, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide;hydrochloride is sourced from PubChem (CID 11487772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).