2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide

C12H22N2O2 — CID 106350117

IUPAC2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-12(4,8-13)11(16)14-10(6-7-15)9(2)3/h9-10,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyMONARZPQMRZHLZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.45
Rot. Bonds6

About 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide

2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide (PubChem CID 106350117) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
PubChem CID106350117
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H22N2O2/c1-5-12(4,8-13)11(16)14-10(6-7-15)9(2)3/h9-10,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyMONARZPQMRZHLZ-UHFFFAOYSA-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-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-2-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79250416
2-cyano-2-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]butanamide
CID 79249849
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782269
2-cyano-2-methyl-N-(4-methylpentyl)butanamide
CID 114291478
2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 114010389
2-cyano-2-methyl-N-(2-methylbutyl)butanamide
CID 114291439
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 103810737
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103708258
2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide
CID 114291545

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide (CID 106350117) is 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide is CCC(C)(C#N)C(=O)NC(CCO)C(C)C.
What is the InChIKey of 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide?
The InChIKey is MONARZPQMRZHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(4,8-13)11(16)14-10(6-7-15)9(2)3/h9-10,15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide?
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide 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-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide is sourced from PubChem (CID 106350117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).