N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide

C26H55N3O2 — CID 58105699

IUPACN-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCNCCN(CCC)CCO
InChIInChI=1S/C26H55N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-26(31)18-20-27-21-23-29(22-4-2)24-25-30/h27,30H,3-25H2,1-2H3,(H,28,31)
InChIKeyKXBUPUOEJACKMK-UHFFFAOYSA-N
MW441.75 g/mol
LogP5.27
Rot. Bonds25

About N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide

N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide (PubChem CID 58105699) has the molecular formula C26H55N3O2 and a molecular weight of 441.75 g/mol. Its IUPAC name is N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide.

Molecular Properties

Compound NameN-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
PubChem CID58105699
Molecular FormulaC26H55N3O2
Molecular Weight441.75 g/mol
Exact Mass441.43
IUPAC NameN-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CCNCCN(CCC)CCO
InChIInChI=1S/C26H55N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-26(31)18-20-27-21-23-29(22-4-2)24-25-30/h27,30H,3-25H2,1-2H3,(H,28,31)
InChIKeyKXBUPUOEJACKMK-UHFFFAOYSA-N
XLogP5.27
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.75
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[bis(2-hydroxyethyl)amino]ethylamino]-N-pentadecylpropanamide;3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 161095929
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 58040549
3-[3-[bis[3-oxo-3-(tetradecylamino)propyl]amino]propylamino]-N-tetradecylpropanamide
CID 46240570
N-dodecyl-3-[hexyl(2-hydroxyethyl)amino]propanamide
CID 58105400
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(3-hydroxypropyl)amino]propanamide;N-dodecyl-3-(3-hydroxypropylamino)propanamide;methane
CID 159916447
3-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propylamino]butyl]amino]-N-dodecylpropanamide;3-[3-[4-[3-[bis[3-(dodecylamino)-3-oxopropyl]amino]propyl-[3-(dodecylamino)-3-oxopropyl]amino]butylamino]propylamino]-N-dodecylpropanamide
CID 160695132
N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
3-[2-aminoethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide;3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide;3-[2-[[3-oxo-3-(tetradecylamino)propyl]amino]ethylamino]-N-tetradecylpropanamide
CID 160990447
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide?
The IUPAC name of N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide (CID 58105699) is N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide.
What is the SMILES notation for N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide?
The canonical SMILES for N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide is CCCCCCCCCCCCCCCCNC(=O)CCNCCN(CCC)CCO.
What is the InChIKey of N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide?
The InChIKey is KXBUPUOEJACKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-26(31)18-20-27-21-23-29(22-4-2)24-25-30/h27,30H,3-25H2,1-2H3,(H,28,31).
What are the key properties of N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide?
N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide has a molecular weight of 441.75 g/mol, XLogP of 5.27, 25 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide is sourced from PubChem (CID 58105699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).