N-(3-hydroxy-4-methoxybutyl)octanamide

C13H27NO3 — CID 103877091

IUPACN-(3-hydroxy-4-methoxybutyl)octanamide
SMILESCCCCCCCC(=O)NCCC(O)COC
InChIInChI=1S/C13H27NO3/c1-3-4-5-6-7-8-13(16)14-10-9-12(15)11-17-2/h12,15H,3-11H2,1-2H3,(H,14,16)
InChIKeyHQPMGERFWBLFNH-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.86
Rot. Bonds11

About N-(3-hydroxy-4-methoxybutyl)octanamide

N-(3-hydroxy-4-methoxybutyl)octanamide (PubChem CID 103877091) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)octanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)octanamide
PubChem CID103877091
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(3-hydroxy-4-methoxybutyl)octanamide
SMILESCCCCCCCC(=O)NCCC(O)COC
InChIInChI=1S/C13H27NO3/c1-3-4-5-6-7-8-13(16)14-10-9-12(15)11-17-2/h12,15H,3-11H2,1-2H3,(H,14,16)
InChIKeyHQPMGERFWBLFNH-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.86
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

N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
N-(3-bromo-4-methoxybutyl)dodecanamide
CID 106245142
N-(3-chloro-4-methoxybutyl)nonanamide
CID 114163175
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
N-(4,4-dihydroxybutyl)decanamide
CID 163472337
4-(heptylamino)-1-methoxybutan-2-ol
CID 106245003

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)octanamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)octanamide (CID 103877091) is N-(3-hydroxy-4-methoxybutyl)octanamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)octanamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)octanamide is CCCCCCCC(=O)NCCC(O)COC.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)octanamide?
The InChIKey is HQPMGERFWBLFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-4-5-6-7-8-13(16)14-10-9-12(15)11-17-2/h12,15H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)octanamide?
N-(3-hydroxy-4-methoxybutyl)octanamide has a molecular weight of 245.36 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)octanamide is sourced from PubChem (CID 103877091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).