3-hydroxy-N,N-dimethylpropanamide

C5H11NO2 — CID 541623

IUPAC3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCO
InChIInChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h7H,3-4H2,1-2H3
InChIKeyZEVPZBDCQLTDHD-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.54
Rot. Bonds2

About 3-hydroxy-N,N-dimethylpropanamide

3-hydroxy-N,N-dimethylpropanamide (PubChem CID 541623) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethylpropanamide
PubChem CID541623
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-hydroxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCO
InChIInChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h7H,3-4H2,1-2H3
InChIKeyZEVPZBDCQLTDHD-UHFFFAOYSA-N
XLogP-0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.54
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-dimethylpropanamide?
The IUPAC name of 3-hydroxy-N,N-dimethylpropanamide (CID 541623) is 3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-hydroxy-N,N-dimethylpropanamide is CN(C)C(=O)CCO.
What is the InChIKey of 3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is ZEVPZBDCQLTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h7H,3-4H2,1-2H3.
What are the key properties of 3-hydroxy-N,N-dimethylpropanamide?
3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 117.15 g/mol, XLogP of -0.54, 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-dimethylpropanamide is sourced from PubChem (CID 541623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).