N-methyl-N-(2-methyl-3-oxobutyl)acetamide

C8H15NO2 — CID 130029247

IUPACN-methyl-N-(2-methyl-3-oxobutyl)acetamide
SMILESCC(=O)C(C)CN(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(7(2)10)5-9(4)8(3)11/h6H,5H2,1-4H3
InChIKeyWSFOFMNYJJTHCB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About N-methyl-N-(2-methyl-3-oxobutyl)acetamide

N-methyl-N-(2-methyl-3-oxobutyl)acetamide (PubChem CID 130029247) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-3-oxobutyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-3-oxobutyl)acetamide
PubChem CID130029247
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-methyl-N-(2-methyl-3-oxobutyl)acetamide
SMILESCC(=O)C(C)CN(C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(7(2)10)5-9(4)8(3)11/h6H,5H2,1-4H3
InChIKeyWSFOFMNYJJTHCB-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-(3-hydroxy-2-methylpropyl)-N-methylacetamide
CID 126993696
N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
N-(2-hydroxybutyl)-N-methylacetamide;methane
CID 158717174
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
7-(dimethylamino)-3-methylhept-5-yn-2-one
CID 15685978
N-methyl-N-[[methyl(propan-2-yl)amino]methyl]acetamide
CID 21336479
3-methyl-4-(N-methylanilino)butan-2-one
CID 174632669
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide
CID 89050454
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-3-oxobutyl)acetamide?
The IUPAC name of N-methyl-N-(2-methyl-3-oxobutyl)acetamide (CID 130029247) is N-methyl-N-(2-methyl-3-oxobutyl)acetamide.
What is the SMILES notation for N-methyl-N-(2-methyl-3-oxobutyl)acetamide?
The canonical SMILES for N-methyl-N-(2-methyl-3-oxobutyl)acetamide is CC(=O)C(C)CN(C)C(C)=O.
What is the InChIKey of N-methyl-N-(2-methyl-3-oxobutyl)acetamide?
The InChIKey is WSFOFMNYJJTHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(7(2)10)5-9(4)8(3)11/h6H,5H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyl-3-oxobutyl)acetamide?
N-methyl-N-(2-methyl-3-oxobutyl)acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-3-oxobutyl)acetamide is sourced from PubChem (CID 130029247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).