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

C8H14N2O2 — CID 103944745

IUPAC2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C8H14N2O2/c1-6(4-9)7(12)10-8(2,3)5-11/h6,11H,5H2,1-3H3,(H,10,12)
InChIKeyQFMSZYOAYYVYQN-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.03
Rot. Bonds3

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

2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 103944745) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID103944745
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C#N)C(=O)NC(C)(C)CO
InChIInChI=1S/C8H14N2O2/c1-6(4-9)7(12)10-8(2,3)5-11/h6,11H,5H2,1-3H3,(H,10,12)
InChIKeyQFMSZYOAYYVYQN-UHFFFAOYSA-N
XLogP0.03
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.03
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)propanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 103944745) is 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C#N)C(=O)NC(C)(C)CO.
What is the InChIKey of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is QFMSZYOAYYVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(4-9)7(12)10-8(2,3)5-11/h6,11H,5H2,1-3H3,(H,10,12).
What are the key properties of 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 170.21 g/mol, XLogP of 0.03, 3 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)propanamide is sourced from PubChem (CID 103944745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).