4-butyl-4-hydroxyoctanamide

C12H25NO2 — CID 139781323

IUPAC4-butyl-4-hydroxyoctanamide
SMILESCCCCC(O)(CCCC)CCC(N)=O
InChIInChI=1S/C12H25NO2/c1-3-5-8-12(15,9-6-4-2)10-7-11(13)14/h15H,3-10H2,1-2H3,(H2,13,14)
InChIKeyHKECZRQRLWQDFK-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.36
Rot. Bonds9

About 4-butyl-4-hydroxyoctanamide

4-butyl-4-hydroxyoctanamide (PubChem CID 139781323) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-butyl-4-hydroxyoctanamide.

Molecular Properties

Compound Name4-butyl-4-hydroxyoctanamide
PubChem CID139781323
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-butyl-4-hydroxyoctanamide
SMILESCCCCC(O)(CCCC)CCC(N)=O
InChIInChI=1S/C12H25NO2/c1-3-5-8-12(15,9-6-4-2)10-7-11(13)14/h15H,3-10H2,1-2H3,(H2,13,14)
InChIKeyHKECZRQRLWQDFK-UHFFFAOYSA-N
XLogP2.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrabutylhexanediamide
CID 18792229
4-methyl-4-pentyldecanamide
CID 155082374
CID 87899207
CID 87899207
acetamide;pentanamide
CID 158041283
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;zinc
CID 87169213
potassium;hexanamide;hydride
CID 173117462
octadecanamide;hydrochloride
CID 87891779
acetamide;pentanamide;dihydrochloride
CID 141201232
butane;octanamide
CID 87511414

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-hydroxyoctanamide?
The IUPAC name of 4-butyl-4-hydroxyoctanamide (CID 139781323) is 4-butyl-4-hydroxyoctanamide.
What is the SMILES notation for 4-butyl-4-hydroxyoctanamide?
The canonical SMILES for 4-butyl-4-hydroxyoctanamide is CCCCC(O)(CCCC)CCC(N)=O.
What is the InChIKey of 4-butyl-4-hydroxyoctanamide?
The InChIKey is HKECZRQRLWQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-8-12(15,9-6-4-2)10-7-11(13)14/h15H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 4-butyl-4-hydroxyoctanamide?
4-butyl-4-hydroxyoctanamide has a molecular weight of 215.34 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-hydroxyoctanamide is sourced from PubChem (CID 139781323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).