N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide

C23H48N2O2 — CID 58105400

IUPACN-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCO)CCCCCC
InChIInChI=1S/C23H48N2O2/c1-3-5-7-9-10-11-12-13-14-15-18-24-23(27)17-20-25(21-22-26)19-16-8-6-4-2/h26H,3-22H2,1-2H3,(H,24,27)
InChIKeyLOUSIXMSIYFRHV-UHFFFAOYSA-N
MW384.65 g/mol
LogP5.29
Rot. Bonds21

About N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide

N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide (PubChem CID 58105400) has the molecular formula C23H48N2O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
PubChem CID58105400
Molecular FormulaC23H48N2O2
Molecular Weight384.65 g/mol
Exact Mass384.37
IUPAC NameN-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
SMILESCCCCCCCCCCCCNC(=O)CCN(CCO)CCCCCC
InChIInChI=1S/C23H48N2O2/c1-3-5-7-9-10-11-12-13-14-15-18-24-23(27)17-20-25(21-22-26)19-16-8-6-4-2/h26H,3-22H2,1-2H3,(H,24,27)
InChIKeyLOUSIXMSIYFRHV-UHFFFAOYSA-N
XLogP5.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540
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
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
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
N'-[4-(dibutylamino)butyl]-N-dodecylbutanediamide
CID 146463199

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide (CID 58105400) is N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide is CCCCCCCCCCCCNC(=O)CCN(CCO)CCCCCC.
What is the InChIKey of N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is LOUSIXMSIYFRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O2/c1-3-5-7-9-10-11-12-13-14-15-18-24-23(27)17-20-25(21-22-26)19-16-8-6-4-2/h26H,3-22H2,1-2H3,(H,24,27).
What are the key properties of N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide?
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 384.65 g/mol, XLogP of 5.29, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 58105400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).