2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide

C9H17N3O2 — CID 126695372

IUPAC2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide
SMILESCC(=O)C(C)(C)/N=N/C(C)(C)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(13)8(2,3)11-12-9(4,5)7(10)14/h1-5H3,(H2,10,14)/b12-11+
InChIKeyYQNVKRCZDRGVCH-VAWYXSNFSA-N
MW199.25 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide

2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide (PubChem CID 126695372) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide
PubChem CID126695372
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide
SMILESCC(=O)C(C)(C)/N=N/C(C)(C)C(N)=O
InChIInChI=1S/C9H17N3O2/c1-6(13)8(2,3)11-12-9(4,5)7(10)14/h1-5H3,(H2,10,14)/b12-11+
InChIKeyYQNVKRCZDRGVCH-VAWYXSNFSA-N
XLogP1.07
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide?
The IUPAC name of 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide (CID 126695372) is 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide?
The canonical SMILES for 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide is CC(=O)C(C)(C)/N=N/C(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide?
The InChIKey is YQNVKRCZDRGVCH-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(13)8(2,3)11-12-9(4,5)7(10)14/h1-5H3,(H2,10,14)/b12-11+.
What are the key properties of 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide?
2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide has a molecular weight of 199.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3-oxobutan-2-yl)diazenyl]propanamide is sourced from PubChem (CID 126695372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).