4-hydroxy-N,N-di(propan-2-yl)hexanamide

C12H25NO2 — CID 86044757

IUPAC4-hydroxy-N,N-di(propan-2-yl)hexanamide
SMILESCCC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-6-11(14)7-8-12(15)13(9(2)3)10(4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyWHQXZNDOWGUEAR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.18
Rot. Bonds6

About 4-hydroxy-N,N-di(propan-2-yl)hexanamide

4-hydroxy-N,N-di(propan-2-yl)hexanamide (PubChem CID 86044757) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-hydroxy-N,N-di(propan-2-yl)hexanamide.

Molecular Properties

Compound Name4-hydroxy-N,N-di(propan-2-yl)hexanamide
PubChem CID86044757
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-hydroxy-N,N-di(propan-2-yl)hexanamide
SMILESCCC(O)CCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-6-11(14)7-8-12(15)13(9(2)3)10(4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyWHQXZNDOWGUEAR-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,N-diisopropylhexanamide
CID 10856875
N,N-diisopropyl-4-hydroxypentanamide
CID 11206451
4-Hydroxy-1-pyrrolidin-1-ylpentan-1-one
CID 54374776
N,N-Dihexyl-4-hydroxybutanamide
CID 71407073
4-hydroxy-N,N-di(propan-2-yl)heptanamide
CID 86044759
(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134905813
(2S,4S)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134975617
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192199
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 79192272
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192363
N-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79204493
4-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 79204647

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-di(propan-2-yl)hexanamide?
The IUPAC name of 4-hydroxy-N,N-di(propan-2-yl)hexanamide (CID 86044757) is 4-hydroxy-N,N-di(propan-2-yl)hexanamide.
What is the SMILES notation for 4-hydroxy-N,N-di(propan-2-yl)hexanamide?
The canonical SMILES for 4-hydroxy-N,N-di(propan-2-yl)hexanamide is CCC(O)CCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 4-hydroxy-N,N-di(propan-2-yl)hexanamide?
The InChIKey is WHQXZNDOWGUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-11(14)7-8-12(15)13(9(2)3)10(4)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 4-hydroxy-N,N-di(propan-2-yl)hexanamide?
4-hydroxy-N,N-di(propan-2-yl)hexanamide has a molecular weight of 215.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-di(propan-2-yl)hexanamide is sourced from PubChem (CID 86044757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).