N-(4-hydroxybutyl)-2-methylhexanamide

C11H23NO2 — CID 23563441

IUPACN-(4-hydroxybutyl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCCCCO
InChIInChI=1S/C11H23NO2/c1-3-4-7-10(2)11(14)12-8-5-6-9-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyCJAICTCKQRHJAE-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.70
Rot. Bonds8

About N-(4-hydroxybutyl)-2-methylhexanamide

N-(4-hydroxybutyl)-2-methylhexanamide (PubChem CID 23563441) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-methylhexanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-methylhexanamide
PubChem CID23563441
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(4-hydroxybutyl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)NCCCCO
InChIInChI=1S/C11H23NO2/c1-3-4-7-10(2)11(14)12-8-5-6-9-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyCJAICTCKQRHJAE-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-methylhexanamide?
The IUPAC name of N-(4-hydroxybutyl)-2-methylhexanamide (CID 23563441) is N-(4-hydroxybutyl)-2-methylhexanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-methylhexanamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-methylhexanamide is CCCCC(C)C(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-methylhexanamide?
The InChIKey is CJAICTCKQRHJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-7-10(2)11(14)12-8-5-6-9-13/h10,13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxybutyl)-2-methylhexanamide?
N-(4-hydroxybutyl)-2-methylhexanamide has a molecular weight of 201.31 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-methylhexanamide is sourced from PubChem (CID 23563441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).