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

C12H23NO2 — CID 59883190

IUPAC2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide
SMILESCC(=O)C(C)C(C)NC(=O)C(C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7(2)8(3)12(15)13-10(5)9(4)11(6)14/h7-10H,1-6H3,(H,13,15)
InChIKeyVBPPEIMYJYZYMH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.01
Rot. Bonds5

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

2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide (PubChem CID 59883190) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide
PubChem CID59883190
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide
SMILESCC(=O)C(C)C(C)NC(=O)C(C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7(2)8(3)12(15)13-10(5)9(4)11(6)14/h7-10H,1-6H3,(H,13,15)
InChIKeyVBPPEIMYJYZYMH-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethylpentan-2-one;sulfane
CID 158809949
2,3,5,5-tetramethyl-4-oxo-N-[3-[(2,3,5,5-tetramethyl-4-oxohexanoyl)amino]butan-2-yl]hexanamide
CID 138498566
N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
CID 104873144
(2R)-2-hydroxy-N-(3-methylbutan-2-yl)propanamide
CID 131207003
(2S)-N-[(3S,4S)-6-(carbamoylamino)-4-methyl-2-oxohexan-3-yl]-2,3-dimethylbutanamide
CID 174152311
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
N',N',2,3-tetramethylbutanehydrazide
CID 20658367
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
(2S)-2-[[(2R)-2,3-dimethylbutanoyl]amino]pentanedioic acid
CID 176727519
(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
CID 163905710
2-methoxy-N-(3-methylbutan-2-yl)propanamide
CID 115587528
N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide?
The IUPAC name of 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide (CID 59883190) is 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide.
What is the SMILES notation for 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide?
The canonical SMILES for 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide is CC(=O)C(C)C(C)NC(=O)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide?
The InChIKey is VBPPEIMYJYZYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7(2)8(3)12(15)13-10(5)9(4)11(6)14/h7-10H,1-6H3,(H,13,15).
What are the key properties of 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide?
2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-methyl-4-oxopentan-2-yl)butanamide is sourced from PubChem (CID 59883190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).