2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide

C12H22N2O2 — CID 79249849

IUPAC2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide
SMILESCCC(C#N)(CC)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-12(6-2,8-13)11(16)14-10(7-15)9(3)4/h9-10,15H,5-7H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyOBQREPBORDGXHG-SNVBAGLBSA-N
MW226.32 g/mol
LogP1.45
Rot. Bonds6

About 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide

2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide (PubChem CID 79249849) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide
PubChem CID79249849
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide
SMILESCCC(C#N)(CC)C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-12(6-2,8-13)11(16)14-10(7-15)9(3)4/h9-10,15H,5-7H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyOBQREPBORDGXHG-SNVBAGLBSA-N
XLogP1.45
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79250416
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
2-cyano-2-ethyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103110179
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
2-cyano-N-(1-cyclohexylethyl)-2-ethylbutanamide
CID 55068978
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 79250627
2-cyano-2-ethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114115162
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
methyl 2-[(2-cyano-2-propylpentanoyl)amino]-3-hydroxypropanoate
CID 107856877

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide (CID 79249849) is 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide is CCC(C#N)(CC)C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide?
The InChIKey is OBQREPBORDGXHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(6-2,8-13)11(16)14-10(7-15)9(3)4/h9-10,15H,5-7H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide?
2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide has a molecular weight of 226.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide is sourced from PubChem (CID 79249849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).