N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide

C22H46N2O3 — CID 87320335

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN
InChIInChI=1S/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)24-17-19-27-21-20-26-18-16-23/h2-21,23H2,1H3,(H,24,25)
InChIKeyWYWKRBCUFJSOKO-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.58
Rot. Bonds22

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide (PubChem CID 87320335) has the molecular formula C22H46N2O3 and a molecular weight of 386.62 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
PubChem CID87320335
Molecular FormulaC22H46N2O3
Molecular Weight386.62 g/mol
Exact Mass386.35
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN
InChIInChI=1S/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)24-17-19-27-21-20-26-18-16-23/h2-21,23H2,1H3,(H,24,25)
InChIKeyWYWKRBCUFJSOKO-UHFFFAOYSA-N
XLogP4.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.58
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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Related Compounds

N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
2-(2-aminoethoxy)ethanol;decanoic acid;N-[2-(2-hydroxyethoxy)ethyl]decanamide
CID 166636671
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
N-[2-[2-(2-aminoethoxy)ethylamino]-2-oxoethyl]-3-(octadecylamino)propanamide
CID 11569923
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide (CID 87320335) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide?
The InChIKey is WYWKRBCUFJSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)24-17-19-27-21-20-26-18-16-23/h2-21,23H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide has a molecular weight of 386.62 g/mol, XLogP of 4.58, 22 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]hexadecanamide is sourced from PubChem (CID 87320335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).