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

C17H35NO3 — CID 103876970

IUPACN-(3-hydroxy-4-methoxybutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCC(O)COC
InChIInChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-12-17(20)18-14-13-16(19)15-21-2/h16,19H,3-15H2,1-2H3,(H,18,20)
InChIKeyHLHYHNVMIBTPOI-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.42
Rot. Bonds15

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

N-(3-hydroxy-4-methoxybutyl)dodecanamide (PubChem CID 103876970) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)dodecanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)dodecanamide
PubChem CID103876970
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC NameN-(3-hydroxy-4-methoxybutyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCC(O)COC
InChIInChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-12-17(20)18-14-13-16(19)15-21-2/h16,19H,3-15H2,1-2H3,(H,18,20)
InChIKeyHLHYHNVMIBTPOI-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.42
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)octanamide
CID 103877091
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
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-(4,4-dihydroxybutyl)decanamide
CID 163472337

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)dodecanamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)dodecanamide (CID 103876970) is N-(3-hydroxy-4-methoxybutyl)dodecanamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)dodecanamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)dodecanamide is CCCCCCCCCCCC(=O)NCCC(O)COC.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)dodecanamide?
The InChIKey is HLHYHNVMIBTPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-3-4-5-6-7-8-9-10-11-12-17(20)18-14-13-16(19)15-21-2/h16,19H,3-15H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)dodecanamide?
N-(3-hydroxy-4-methoxybutyl)dodecanamide has a molecular weight of 301.47 g/mol, XLogP of 3.42, 15 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)dodecanamide is sourced from PubChem (CID 103876970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).