3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide

C12H23NO2 — CID 142180452

IUPAC3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
SMILESCC(=O)[C@H](NC(=O)CC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)11(9(3)14)13-10(15)7-12(4,5)6/h8,11H,7H2,1-6H3,(H,13,15)/t11-/m1/s1
InChIKeyOMBKJLHZPRYLTK-LLVKDONJSA-N
MW213.32 g/mol
LogP2.15
Rot. Bonds4

About 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide

3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide (PubChem CID 142180452) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
PubChem CID142180452
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
SMILESCC(=O)[C@H](NC(=O)CC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)11(9(3)14)13-10(15)7-12(4,5)6/h8,11H,7H2,1-6H3,(H,13,15)/t11-/m1/s1
InChIKeyOMBKJLHZPRYLTK-LLVKDONJSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10686752
2-(3,3-dimethylbutanoylamino)-3-methylbutanoyl cyanide
CID 142180191
3,3-dimethyl-N-(4-methyl-3-oxopentan-2-yl)butanamide
CID 89004719
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
(2S,3S)-2-(3,3-dimethylbutanoylamino)-3-methylpentanoic acid
CID 30077393
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 113239606
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid
CID 59571321
N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide
CID 64637702
propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate
CID 59571302
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
3,3-dimethyl-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)butanamide
CID 58938787

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide (CID 142180452) is 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide is CC(=O)[C@H](NC(=O)CC(C)(C)C)C(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide?
The InChIKey is OMBKJLHZPRYLTK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)11(9(3)14)13-10(15)7-12(4,5)6/h8,11H,7H2,1-6H3,(H,13,15)/t11-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide?
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide is sourced from PubChem (CID 142180452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).