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

C24H50N2O3 — CID 11487773

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN
InChIInChI=1S/C24H50N2O3/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)
InChIKeyOLDJFLMQJONFGD-UHFFFAOYSA-N
MW414.68 g/mol
LogP5.36
Rot. Bonds24

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

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide (PubChem CID 11487773) has the molecular formula C24H50N2O3 and a molecular weight of 414.68 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide
PubChem CID11487773
Molecular FormulaC24H50N2O3
Molecular Weight414.68 g/mol
Exact Mass414.38
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN
InChIInChI=1S/C24H50N2O3/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)
InChIKeyOLDJFLMQJONFGD-UHFFFAOYSA-N
XLogP5.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 55.36
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?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide (CID 11487773) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide?
The InChIKey is OLDJFLMQJONFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O3/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).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]octadecanamide has a molecular weight of 414.68 g/mol, XLogP of 5.36, 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 is sourced from PubChem (CID 11487773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).