N-(1-hydroxybutyl)decanamide

C14H29NO2 — CID 87762139

IUPACN-(1-hydroxybutyl)decanamide
SMILESCCCCCCCCCC(=O)NC(O)CCC
InChIInChI=1S/C14H29NO2/c1-3-5-6-7-8-9-10-12-14(17)15-13(16)11-4-2/h13,16H,3-12H2,1-2H3,(H,15,17)
InChIKeyLLKOMEFKLATEFK-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.36
Rot. Bonds11

About N-(1-hydroxybutyl)decanamide

N-(1-hydroxybutyl)decanamide (PubChem CID 87762139) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-hydroxybutyl)decanamide.

Molecular Properties

Compound NameN-(1-hydroxybutyl)decanamide
PubChem CID87762139
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(1-hydroxybutyl)decanamide
SMILESCCCCCCCCCC(=O)NC(O)CCC
InChIInChI=1S/C14H29NO2/c1-3-5-6-7-8-9-10-12-14(17)15-13(16)11-4-2/h13,16H,3-12H2,1-2H3,(H,15,17)
InChIKeyLLKOMEFKLATEFK-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroxypropyl)heptanamide
CID 130176524
N-pentan-2-ylundecanamide
CID 173258559
(Z)-N-(1-hydroxypropyl)octadec-9-enamide
CID 159234063
N-(1-hydroxypropyl)octadec-9-enamide
CID 173100220
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-pentan-3-yldocosanamide
CID 123339332
2-hydroxy-2-(octanoylamino)acetic acid
CID 45122268
N-[(2S,3R)-3-hydroxyoctadecan-2-yl]hexacosanamide
CID 73242205
N-[1-(ethylamino)butyl]dodecanamide
CID 87831104
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-(2-hydroxy-2-methylhexan-3-yl)octadecanamide
CID 87088598

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutyl)decanamide?
The IUPAC name of N-(1-hydroxybutyl)decanamide (CID 87762139) is N-(1-hydroxybutyl)decanamide.
What is the SMILES notation for N-(1-hydroxybutyl)decanamide?
The canonical SMILES for N-(1-hydroxybutyl)decanamide is CCCCCCCCCC(=O)NC(O)CCC.
What is the InChIKey of N-(1-hydroxybutyl)decanamide?
The InChIKey is LLKOMEFKLATEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-6-7-8-9-10-12-14(17)15-13(16)11-4-2/h13,16H,3-12H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxybutyl)decanamide?
N-(1-hydroxybutyl)decanamide has a molecular weight of 243.39 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutyl)decanamide is sourced from PubChem (CID 87762139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).