2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide

C13H27NO2 — CID 89234417

IUPAC2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide
SMILESCCC(C)(C)CC(CO)(C(N)=O)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-7-12(5,6)8-13(9-15,10(14)16)11(2,3)4/h15H,7-9H2,1-6H3,(H2,14,16)
InChIKeyVARUGGPYEFRDKW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.32
Rot. Bonds5

About 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide

2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide (PubChem CID 89234417) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide.

Molecular Properties

Compound Name2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide
PubChem CID89234417
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide
SMILESCCC(C)(C)CC(CO)(C(N)=O)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-7-12(5,6)8-13(9-15,10(14)16)11(2,3)4/h15H,7-9H2,1-6H3,(H2,14,16)
InChIKeyVARUGGPYEFRDKW-UHFFFAOYSA-N
XLogP2.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
2-methylpropyl 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 118963900
2-(15N)azanyl-2-methylbutanamide
CID 10844374
3,3-dimethylpentane;ethane;methanol
CID 144527462
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
2,2-dihydroxybutanamide
CID 22465138
2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol
CID 139931222
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
2-tert-butyl-2-ethyl-4,4-dimethylpentanoic acid
CID 123370825

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide?
The IUPAC name of 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide (CID 89234417) is 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide.
What is the SMILES notation for 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide?
The canonical SMILES for 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide is CCC(C)(C)CC(CO)(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide?
The InChIKey is VARUGGPYEFRDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-12(5,6)8-13(9-15,10(14)16)11(2,3)4/h15H,7-9H2,1-6H3,(H2,14,16).
What are the key properties of 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide?
2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide has a molecular weight of 229.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(hydroxymethyl)-4,4-dimethylhexanamide is sourced from PubChem (CID 89234417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).