3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide

C13H28N2O2 — CID 108795355

IUPAC3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
SMILESCCCCN(C)CCC(=O)NCCCCCO
InChIInChI=1S/C13H28N2O2/c1-3-4-10-15(2)11-8-13(17)14-9-6-5-7-12-16/h16H,3-12H2,1-2H3,(H,14,17)
InChIKeyBUDFWOYBFMTQCW-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.39
Rot. Bonds11

About 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide

3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide (PubChem CID 108795355) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
PubChem CID108795355
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
SMILESCCCCN(C)CCC(=O)NCCCCCO
InChIInChI=1S/C13H28N2O2/c1-3-4-10-15(2)11-8-13(17)14-9-6-5-7-12-16/h16H,3-12H2,1-2H3,(H,14,17)
InChIKeyBUDFWOYBFMTQCW-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.39
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-[butyl(methyl)amino]-N-pentadecylpropanamide
CID 58040616
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
N-[3-[2-hydroxyethyl(methyl)amino]propyl]pentadecanamide
CID 102462917
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
3-[2-aminoethyl(methyl)amino]-N-tridecylpropanamide
CID 58105615
3-[2-hydroxyethyl(5-hydroxypentyl)amino]-N-pentadecylpropanamide
CID 58040540
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
(Z)-N-[4-[methyl-[7-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]heptyl]amino]butyl]octadec-9-enamide;dihydrobromide
CID 172726509

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide (CID 108795355) is 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide is CCCCN(C)CCC(=O)NCCCCCO.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide?
The InChIKey is BUDFWOYBFMTQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-4-10-15(2)11-8-13(17)14-9-6-5-7-12-16/h16H,3-12H2,1-2H3,(H,14,17).
What are the key properties of 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide?
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide is sourced from PubChem (CID 108795355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).