4-hydroxy-2,3,3-trimethylbutanamide

C7H15NO2 — CID 55284516

IUPAC4-hydroxy-2,3,3-trimethylbutanamide
SMILESCC(C(N)=O)C(C)(C)CO
InChIInChI=1S/C7H15NO2/c1-5(6(8)10)7(2,3)4-9/h5,9H,4H2,1-3H3,(H2,8,10)
InChIKeyXRDWFFPDGXUBGS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.13
Rot. Bonds3

About 4-hydroxy-2,3,3-trimethylbutanamide

4-hydroxy-2,3,3-trimethylbutanamide (PubChem CID 55284516) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-hydroxy-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-hydroxy-2,3,3-trimethylbutanamide
PubChem CID55284516
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-hydroxy-2,3,3-trimethylbutanamide
SMILESCC(C(N)=O)C(C)(C)CO
InChIInChI=1S/C7H15NO2/c1-5(6(8)10)7(2,3)4-9/h5,9H,4H2,1-3H3,(H2,8,10)
InChIKeyXRDWFFPDGXUBGS-UHFFFAOYSA-N
XLogP0.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,3-trimethylbutanamide?
The IUPAC name of 4-hydroxy-2,3,3-trimethylbutanamide (CID 55284516) is 4-hydroxy-2,3,3-trimethylbutanamide.
What is the SMILES notation for 4-hydroxy-2,3,3-trimethylbutanamide?
The canonical SMILES for 4-hydroxy-2,3,3-trimethylbutanamide is CC(C(N)=O)C(C)(C)CO.
What is the InChIKey of 4-hydroxy-2,3,3-trimethylbutanamide?
The InChIKey is XRDWFFPDGXUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(6(8)10)7(2,3)4-9/h5,9H,4H2,1-3H3,(H2,8,10).
What are the key properties of 4-hydroxy-2,3,3-trimethylbutanamide?
4-hydroxy-2,3,3-trimethylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3,3-trimethylbutanamide is sourced from PubChem (CID 55284516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).