3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide

C25H52N2O3 — CID 58040540

IUPAC3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCN(CCO)CCCCCO
InChIInChI=1S/C25H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-26-25(30)18-21-27(22-24-29)20-16-14-17-23-28/h28-29H,2-24H2,1H3,(H,26,30)
InChIKeyQMSIQYIPTJAIAA-UHFFFAOYSA-N
MW428.70 g/mol
LogP5.04
Rot. Bonds24

About 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide

3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide (PubChem CID 58040540) has the molecular formula C25H52N2O3 and a molecular weight of 428.70 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
PubChem CID58040540
Molecular FormulaC25H52N2O3
Molecular Weight428.70 g/mol
Exact Mass428.40
IUPAC Name3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCN(CCO)CCCCCO
InChIInChI=1S/C25H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-26-25(30)18-21-27(22-24-29)20-16-14-17-23-28/h28-29H,2-24H2,1H3,(H,26,30)
InChIKeyQMSIQYIPTJAIAA-UHFFFAOYSA-N
XLogP5.04
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide 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

N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58040549
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide?
The IUPAC name of 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide (CID 58040540) is 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide.
What is the SMILES notation for 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide?
The canonical SMILES for 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide is CCCCCCCCCCCCCCCNC(=O)CCN(CCO)CCCCCO.
What is the InChIKey of 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide?
The InChIKey is QMSIQYIPTJAIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-26-25(30)18-21-27(22-24-29)20-16-14-17-23-28/h28-29H,2-24H2,1H3,(H,26,30).
What are the key properties of 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide?
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide has a molecular weight of 428.70 g/mol, XLogP of 5.04, 24 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide is sourced from PubChem (CID 58040540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).