N-[2-(2-aminooxyethoxy)ethyl]octadecanamide

C22H46N2O3 — CID 87339139

IUPACN-[2-(2-aminooxyethoxy)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCON
InChIInChI=1S/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)24-18-19-26-20-21-27-23/h2-21,23H2,1H3,(H,24,25)
InChIKeyRDNBIETYDZEZCC-UHFFFAOYSA-N
MW386.62 g/mol
LogP5.27
Rot. Bonds22

About N-[2-(2-aminooxyethoxy)ethyl]octadecanamide

N-[2-(2-aminooxyethoxy)ethyl]octadecanamide (PubChem CID 87339139) has the molecular formula C22H46N2O3 and a molecular weight of 386.62 g/mol. Its IUPAC name is N-[2-(2-aminooxyethoxy)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(2-aminooxyethoxy)ethyl]octadecanamide
PubChem CID87339139
Molecular FormulaC22H46N2O3
Molecular Weight386.62 g/mol
Exact Mass386.35
IUPAC NameN-[2-(2-aminooxyethoxy)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCON
InChIInChI=1S/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)24-18-19-26-20-21-27-23/h2-21,23H2,1H3,(H,24,25)
InChIKeyRDNBIETYDZEZCC-UHFFFAOYSA-N
XLogP5.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminooxyethoxy)ethyl]octadecanamide 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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-(3-aminooxypropyl)hexadecanamide
CID 88573336
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
N-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethyl]pentacosa-10,12-diynamide
CID 141224382

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminooxyethoxy)ethyl]octadecanamide?
The IUPAC name of N-[2-(2-aminooxyethoxy)ethyl]octadecanamide (CID 87339139) is N-[2-(2-aminooxyethoxy)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(2-aminooxyethoxy)ethyl]octadecanamide?
The canonical SMILES for N-[2-(2-aminooxyethoxy)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOCCON.
What is the InChIKey of N-[2-(2-aminooxyethoxy)ethyl]octadecanamide?
The InChIKey is RDNBIETYDZEZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)24-18-19-26-20-21-27-23/h2-21,23H2,1H3,(H,24,25).
What are the key properties of N-[2-(2-aminooxyethoxy)ethyl]octadecanamide?
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide has a molecular weight of 386.62 g/mol, XLogP of 5.27, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminooxyethoxy)ethyl]octadecanamide is sourced from PubChem (CID 87339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).