3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide

C26H55N3O3 — CID 89162835

IUPAC3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide
SMILESCCCCCCCCCCCCCC(C)NC(=O)CCNCCCN(CCO)CCOC
InChIInChI=1S/C26H55N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-25(2)28-26(31)17-19-27-18-15-20-29(21-23-30)22-24-32-3/h25,27,30H,4-24H2,1-3H3,(H,28,31)
InChIKeyGKZUKBJSKXHRST-UHFFFAOYSA-N
MW457.74 g/mol
LogP4.50
Rot. Bonds25

About 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide

3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide (PubChem CID 89162835) has the molecular formula C26H55N3O3 and a molecular weight of 457.74 g/mol. Its IUPAC name is 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide
PubChem CID89162835
Molecular FormulaC26H55N3O3
Molecular Weight457.74 g/mol
Exact Mass457.42
IUPAC Name3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide
SMILESCCCCCCCCCCCCCC(C)NC(=O)CCNCCCN(CCO)CCOC
InChIInChI=1S/C26H55N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-25(2)28-26(31)17-19-27-18-15-20-29(21-23-30)22-24-32-3/h25,27,30H,4-24H2,1-3H3,(H,28,31)
InChIKeyGKZUKBJSKXHRST-UHFFFAOYSA-N
XLogP4.50
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.74
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide 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

3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-oxo-3-(tetradecan-2-ylamino)propyl]amino]propanamide
CID 89162934
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide
CID 89162924
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
2-[butyl(2-hydroxyethyl)amino]-N-pentan-2-ylacetamide
CID 60689454
3-[2-[2-[2-aminoethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88673589
N-butan-2-yl-3-[3-(2-methoxyethoxy)propylamino]propanamide
CID 103409413
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(tetradecanoylamino)propanoic acid
CID 86588604
3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105662

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide?
The IUPAC name of 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide (CID 89162835) is 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide.
What is the SMILES notation for 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide?
The canonical SMILES for 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide is CCCCCCCCCCCCCC(C)NC(=O)CCNCCCN(CCO)CCOC.
What is the InChIKey of 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide?
The InChIKey is GKZUKBJSKXHRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-25(2)28-26(31)17-19-27-18-15-20-29(21-23-30)22-24-32-3/h25,27,30H,4-24H2,1-3H3,(H,28,31).
What are the key properties of 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide?
3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide has a molecular weight of 457.74 g/mol, XLogP of 4.50, 25 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide is sourced from PubChem (CID 89162835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).