2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

C9H16N2O2 — CID 115968634

IUPAC2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C#N)C(=O)NC(C)(C)CCO
InChIInChI=1S/C9H16N2O2/c1-7(6-10)8(13)11-9(2,3)4-5-12/h7,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyVQDWXULFZAIMJW-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds4

About 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 115968634) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID115968634
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C#N)C(=O)NC(C)(C)CCO
InChIInChI=1S/C9H16N2O2/c1-7(6-10)8(13)11-9(2,3)4-5-12/h7,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyVQDWXULFZAIMJW-UHFFFAOYSA-N
XLogP0.42
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(2-cyanobutan-2-yl)propanamide
CID 131175736
(2R)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104873423
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
2-cyano-N-(2-cyclopropylpropan-2-yl)propanamide
CID 103718279
2-cyano-N-(2,2-difluoropropyl)propanamide
CID 143242049
2-cyano-N-ethylpropanamide
CID 23199183
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
N-(4-hydroxy-2-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 115968914
2-cyano-N-(1-hydroxypentan-3-yl)propanamide
CID 115767204
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 115968798
2-(4-fluorophenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968801

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (CID 115968634) is 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is CC(C#N)C(=O)NC(C)(C)CCO.
What is the InChIKey of 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is VQDWXULFZAIMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(6-10)8(13)11-9(2,3)4-5-12/h7,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 184.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115968634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).