N-(2-cyanopropan-2-yl)-2-methylpropanamide

C8H14N2O — CID 537567

IUPACN-(2-cyanopropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)C#N
InChIInChI=1S/C8H14N2O/c1-6(2)7(11)10-8(3,4)5-9/h6H,1-4H3,(H,10,11)
InChIKeyJXIVOFHBAAZANY-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds2

About N-(2-cyanopropan-2-yl)-2-methylpropanamide

N-(2-cyanopropan-2-yl)-2-methylpropanamide (PubChem CID 537567) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-methylpropanamide
PubChem CID537567
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(2-cyanopropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)C#N
InChIInChI=1S/C8H14N2O/c1-6(2)7(11)10-8(3,4)5-9/h6H,1-4H3,(H,10,11)
InChIKeyJXIVOFHBAAZANY-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-methylpropanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-methylpropanamide (CID 537567) is N-(2-cyanopropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-methylpropanamide is CC(C)C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-methylpropanamide?
The InChIKey is JXIVOFHBAAZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)7(11)10-8(3,4)5-9/h6H,1-4H3,(H,10,11).
What are the key properties of N-(2-cyanopropan-2-yl)-2-methylpropanamide?
N-(2-cyanopropan-2-yl)-2-methylpropanamide has a molecular weight of 154.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 537567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).