2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide

C10H18N2O2 — CID 107857128

IUPAC2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H18N2O2/c1-7(2)8(5-11)9(14)12-10(3,4)6-13/h7-8,13H,6H2,1-4H3,(H,12,14)
InChIKeyBBXQIQBMYQVPQR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.67
Rot. Bonds4

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

2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide (PubChem CID 107857128) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
PubChem CID107857128
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide
SMILESCC(C)C(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H18N2O2/c1-7(2)8(5-11)9(14)12-10(3,4)6-13/h7-8,13H,6H2,1-4H3,(H,12,14)
InChIKeyBBXQIQBMYQVPQR-UHFFFAOYSA-N
XLogP0.67
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.67
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)-3-methylbutanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide (CID 107857128) is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide is CC(C)C(C#N)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
The InChIKey is BBXQIQBMYQVPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)8(5-11)9(14)12-10(3,4)6-13/h7-8,13H,6H2,1-4H3,(H,12,14).
What are the key properties of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide?
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbutanamide has a molecular weight of 198.27 g/mol, XLogP of 0.67, 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)-3-methylbutanamide is sourced from PubChem (CID 107857128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).