N-[2-(diethylamino)ethyl]octadecanamide

C24H50N2O — CID 24091

IUPACN-[2-(diethylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC
InChIInChI=1S/C24H50N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h4-23H2,1-3H3,(H,25,27)
InChIKeyKKBOOQDFOWZSDC-UHFFFAOYSA-N
MW382.68 g/mol
LogP6.71
Rot. Bonds21

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

N-[2-(diethylamino)ethyl]octadecanamide (PubChem CID 24091) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]octadecanamide
PubChem CID24091
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC NameN-[2-(diethylamino)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC
InChIInChI=1S/C24H50N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h4-23H2,1-3H3,(H,25,27)
InChIKeyKKBOOQDFOWZSDC-UHFFFAOYSA-N
XLogP6.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(diethylamino)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

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]octadecanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]octadecanamide (CID 24091) is N-[2-(diethylamino)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]octadecanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]octadecanamide?
The InChIKey is KKBOOQDFOWZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3/h4-23H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(diethylamino)ethyl]octadecanamide?
N-[2-(diethylamino)ethyl]octadecanamide has a molecular weight of 382.68 g/mol, XLogP of 6.71, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]octadecanamide is sourced from PubChem (CID 24091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).