3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide

C12H24N2O2 — CID 154976995

IUPAC3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
SMILESCNC(C(=O)NC(C(C)=O)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-7(2)10(9(5)15)14-12(16)11(13-6)8(3)4/h7-8,10-11,13H,1-6H3,(H,14,16)
InChIKeyMWKDAYPCKCUCIO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds6

About 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide

3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide (PubChem CID 154976995) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
PubChem CID154976995
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
SMILESCNC(C(=O)NC(C(C)=O)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-7(2)10(9(5)15)14-12(16)11(13-6)8(3)4/h7-8,10-11,13H,1-6H3,(H,14,16)
InChIKeyMWKDAYPCKCUCIO-UHFFFAOYSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
methane;4-methyl-3-(methylamino)pentan-2-one
CID 158029280
(2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl iodide
CID 155401923
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
(2S)-3-methyl-2-(methylamino)-N-(3-oxobut-1-en-2-yl)butanamide
CID 167281682
(2R)-2-methyl-3-[(2-methyl-4-oxopentan-3-yl)amino]-3-oxopropane-1-sulfonic acid
CID 163496429
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101151664
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 21056271
(3S)-3-(chloroamino)-4-methylpentan-2-one
CID 58773466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The IUPAC name of 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide (CID 154976995) is 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The canonical SMILES for 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide is CNC(C(=O)NC(C(C)=O)C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The InChIKey is MWKDAYPCKCUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7(2)10(9(5)15)14-12(16)11(13-6)8(3)4/h7-8,10-11,13H,1-6H3,(H,14,16).
What are the key properties of 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide?
3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide is sourced from PubChem (CID 154976995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).