N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide

C12H25NO2 — CID 106166843

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(CCO)NC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-6-11(3,4)10(15)13-12(5,7-2)8-9-14/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyRUKUEOQVRVFFIS-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide

N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide (PubChem CID 106166843) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
PubChem CID106166843
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(CCO)NC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-6-11(3,4)10(15)13-12(5,7-2)8-9-14/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyRUKUEOQVRVFFIS-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
CID 106167676
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide (CID 106166843) is N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide is CCC(C)(CCO)NC(=O)C(C)(C)CC.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide?
The InChIKey is RUKUEOQVRVFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-11(3,4)10(15)13-12(5,7-2)8-9-14/h14H,6-9H2,1-5H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 106166843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).