2-acetyl-2,3-dimethylbutanamide

C8H15NO2 — CID 57302281

IUPAC2-acetyl-2,3-dimethylbutanamide
SMILESCC(=O)C(C)(C(N)=O)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)8(4,6(3)10)7(9)11/h5H,1-4H3,(H2,9,11)
InChIKeyDAUQDHCGWDZFEQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds3

About 2-acetyl-2,3-dimethylbutanamide

2-acetyl-2,3-dimethylbutanamide (PubChem CID 57302281) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-acetyl-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetyl-2,3-dimethylbutanamide
PubChem CID57302281
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-acetyl-2,3-dimethylbutanamide
SMILESCC(=O)C(C)(C(N)=O)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)8(4,6(3)10)7(9)11/h5H,1-4H3,(H2,9,11)
InChIKeyDAUQDHCGWDZFEQ-UHFFFAOYSA-N
XLogP0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2,3-dimethylbutanamide?
The IUPAC name of 2-acetyl-2,3-dimethylbutanamide (CID 57302281) is 2-acetyl-2,3-dimethylbutanamide.
What is the SMILES notation for 2-acetyl-2,3-dimethylbutanamide?
The canonical SMILES for 2-acetyl-2,3-dimethylbutanamide is CC(=O)C(C)(C(N)=O)C(C)C.
What is the InChIKey of 2-acetyl-2,3-dimethylbutanamide?
The InChIKey is DAUQDHCGWDZFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)8(4,6(3)10)7(9)11/h5H,1-4H3,(H2,9,11).
What are the key properties of 2-acetyl-2,3-dimethylbutanamide?
2-acetyl-2,3-dimethylbutanamide has a molecular weight of 157.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2,3-dimethylbutanamide is sourced from PubChem (CID 57302281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).