3-hydroxy-N,N-dimethylbutanamide

C6H13NO2 — CID 13197444

IUPAC3-hydroxy-N,N-dimethylbutanamide
SMILESCC(O)CC(=O)N(C)C
InChIInChI=1S/C6H13NO2/c1-5(8)4-6(9)7(2)3/h5,8H,4H2,1-3H3
InChIKeyOHICCAZEETWRET-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.15
Rot. Bonds2

About 3-hydroxy-N,N-dimethylbutanamide

3-hydroxy-N,N-dimethylbutanamide (PubChem CID 13197444) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethylbutanamide
PubChem CID13197444
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-hydroxy-N,N-dimethylbutanamide
SMILESCC(O)CC(=O)N(C)C
InChIInChI=1S/C6H13NO2/c1-5(8)4-6(9)7(2)3/h5,8H,4H2,1-3H3
InChIKeyOHICCAZEETWRET-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of 3-hydroxy-N,N-dimethylbutanamide (CID 13197444) is 3-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethylbutanamide is CC(O)CC(=O)N(C)C.
What is the InChIKey of 3-hydroxy-N,N-dimethylbutanamide?
The InChIKey is OHICCAZEETWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(8)4-6(9)7(2)3/h5,8H,4H2,1-3H3.
What are the key properties of 3-hydroxy-N,N-dimethylbutanamide?
3-hydroxy-N,N-dimethylbutanamide has a molecular weight of 131.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 13197444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).