N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide

C13H25NO2 — CID 158833418

IUPACN-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(=O)CC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-10(2)8-12(16)14-7-6-11(15)9-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16)
InChIKeyIXIHLBUTDZNLGO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.54
Rot. Bonds6

About N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide

N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide (PubChem CID 158833418) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
PubChem CID158833418
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(=O)CC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-10(2)8-12(16)14-7-6-11(15)9-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16)
InChIKeyIXIHLBUTDZNLGO-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
2,6-dimethylheptan-4-one;2,2,6-trimethylheptan-4-one
CID 167674911
N-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethyl]-3-methylbutanamide
CID 135139796
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
1-(tert-butylamino)-5-methylhexan-3-one
CID 116557850
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide?
The IUPAC name of N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide (CID 158833418) is N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide.
What is the SMILES notation for N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide?
The canonical SMILES for N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide is CC(C)CC(=O)NCCC(=O)CC(C)(C)C.
What is the InChIKey of N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide?
The InChIKey is IXIHLBUTDZNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)8-12(16)14-7-6-11(15)9-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide?
N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide is sourced from PubChem (CID 158833418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).