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

C16H28N4O2 — CID 139068109

IUPACN-(2-cyanopropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)C#N.CC(C)C(=O)NC(C)(C)C#N
InChIInChI=1S/2C8H14N2O/c2*1-6(2)7(11)10-8(3,4)5-9/h2*6H,1-4H3,(H,10,11)
InChIKeyFVFQLMINWGEFNY-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.12
Rot. Bonds4

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

N-(2-cyanopropan-2-yl)-2-methylpropanamide (PubChem CID 139068109) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-methylpropanamide
PubChem CID139068109
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-(2-cyanopropan-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)(C)C#N.CC(C)C(=O)NC(C)(C)C#N
InChIInChI=1S/2C8H14N2O/c2*1-6(2)7(11)10-8(3,4)5-9/h2*6H,1-4H3,(H,10,11)
InChIKeyFVFQLMINWGEFNY-UHFFFAOYSA-N
XLogP2.12
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 139068109) 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.CC(C)C(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-methylpropanamide?
The InChIKey is FVFQLMINWGEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2O/c2*1-6(2)7(11)10-8(3,4)5-9/h2*6H,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 308.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 139068109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).