Lauric acid diethanolamide

C16H33NO3 — CID 8430

IUPACN,N-bis(2-hydroxyethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
InChIKeyAOMUHOFOVNGZAN-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.50
Rot. Bonds14

About Lauric acid diethanolamide

Lauric acid diethanolamide (PubChem CID 8430) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)dodecanamide.

Molecular Properties

Compound NameLauric acid diethanolamide
PubChem CID8430
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC NameN,N-bis(2-hydroxyethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCO)CCO
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
InChIKeyAOMUHOFOVNGZAN-UHFFFAOYSA-N
XLogP3.50
TPSA60.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity216

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze Lauric acid diethanolamide 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 Lauric acid diethanolamide?
The IUPAC name of Lauric acid diethanolamide (CID 8430) is N,N-bis(2-hydroxyethyl)dodecanamide.
What is the SMILES notation for Lauric acid diethanolamide?
The canonical SMILES for Lauric acid diethanolamide is CCCCCCCCCCCC(=O)N(CCO)CCO.
What is the InChIKey of Lauric acid diethanolamide?
The InChIKey is AOMUHOFOVNGZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3.
What are the key properties of Lauric acid diethanolamide?
Lauric acid diethanolamide has a molecular weight of 287.44 g/mol, XLogP of 3.50, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Lauric acid diethanolamide is sourced from PubChem (CID 8430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).