(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide

C11H22N2O2 — CID 169195729

IUPAC(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
SMILESCN[C@H](C(=O)NCC(=O)C(C)C)C(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)9(14)6-13-11(15)10(12-5)8(3)4/h7-8,10,12H,6H2,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyLDLJYUNRFYWTFT-JTQLQIEISA-N
MW214.31 g/mol
LogP0.57
Rot. Bonds6

About (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide

(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide (PubChem CID 169195729) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
PubChem CID169195729
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
SMILESCN[C@H](C(=O)NCC(=O)C(C)C)C(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)9(14)6-13-11(15)10(12-5)8(3)4/h7-8,10,12H,6H2,1-5H3,(H,13,15)/t10-/m0/s1
InChIKeyLDLJYUNRFYWTFT-JTQLQIEISA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine
CID 156850261
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
CID 162738491
ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
CID 145216505
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
(3-methyl-2-oxobutyl)urea
CID 20600814
(2S)-2-amino-6-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-N-(2-oxopropyl)hexanamide
CID 171408391
benzyl N-[(2S)-3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]carbamate
CID 167089233
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780
N-[2-[(3-methoxy-5-methylheptan-4-yl)amino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 134525802
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
1-(1-hydroxyethenylamino)-3-methylbutan-2-one
CID 178093816
3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 162518867

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide?
The IUPAC name of (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide (CID 169195729) is (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide is CN[C@H](C(=O)NCC(=O)C(C)C)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide?
The InChIKey is LDLJYUNRFYWTFT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)9(14)6-13-11(15)10(12-5)8(3)4/h7-8,10,12H,6H2,1-5H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide?
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide is sourced from PubChem (CID 169195729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).