3-methyl-N-(2-oxopentan-3-yl)butanamide

C10H19NO2 — CID 178112786

IUPAC3-methyl-N-(2-oxopentan-3-yl)butanamide
SMILESCCC(NC(=O)CC(C)C)C(C)=O
InChIInChI=1S/C10H19NO2/c1-5-9(8(4)12)11-10(13)6-7(2)3/h7,9H,5-6H2,1-4H3,(H,11,13)
InChIKeyWSRVTLVBIXTDDA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds5

About 3-methyl-N-(2-oxopentan-3-yl)butanamide

3-methyl-N-(2-oxopentan-3-yl)butanamide (PubChem CID 178112786) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-N-(2-oxopentan-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxopentan-3-yl)butanamide
PubChem CID178112786
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-N-(2-oxopentan-3-yl)butanamide
SMILESCCC(NC(=O)CC(C)C)C(C)=O
InChIInChI=1S/C10H19NO2/c1-5-9(8(4)12)11-10(13)6-7(2)3/h7,9H,5-6H2,1-4H3,(H,11,13)
InChIKeyWSRVTLVBIXTDDA-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
2-amino-N-(2-oxopentan-3-yl)acetamide;ethane;molecular hydrogen
CID 142108408
[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate
CID 46189366
N-(5-methyl-2-oxohexan-3-yl)pentanamide
CID 123525185
3-methyl-N-(4-methyl-5-oxoheptan-2-yl)butanamide
CID 155245946
2-[(3-ethyl-4-methylpentanoyl)amino]butanoic acid
CID 115731040
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
2-(3-methylbutanoylamino)-3-(propan-2-ylamino)propanoic acid
CID 153461625
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
CID 170404242

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxopentan-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-oxopentan-3-yl)butanamide (CID 178112786) is 3-methyl-N-(2-oxopentan-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-oxopentan-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-oxopentan-3-yl)butanamide is CCC(NC(=O)CC(C)C)C(C)=O.
What is the InChIKey of 3-methyl-N-(2-oxopentan-3-yl)butanamide?
The InChIKey is WSRVTLVBIXTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(8(4)12)11-10(13)6-7(2)3/h7,9H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 3-methyl-N-(2-oxopentan-3-yl)butanamide?
3-methyl-N-(2-oxopentan-3-yl)butanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxopentan-3-yl)butanamide is sourced from PubChem (CID 178112786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).