2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

C9H16N2O2 — CID 107857134

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

About 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide

2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (PubChem CID 107857134) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
PubChem CID107857134
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
SMILESCCC(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C9H16N2O2/c1-4-7(5-10)8(13)11-9(2,3)6-12/h7,12H,4,6H2,1-3H3,(H,11,13)
InChIKeyIWZWJGQLBIKJJS-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide (CID 107857134) is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide is CCC(C#N)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
The InChIKey is IWZWJGQLBIKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-7(5-10)8(13)11-9(2,3)6-12/h7,12H,4,6H2,1-3H3,(H,11,13).
What are the key properties of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide?
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)butanamide 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-(1-hydroxy-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 107857134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).