3-hydroxy-N-methoxy-N-methylbutanamide

C6H13NO3 — CID 73159357

IUPAC3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)CC(C)O
InChIInChI=1S/C6H13NO3/c1-5(8)4-6(9)7(2)10-3/h5,8H,4H2,1-3H3
InChIKeyNDBGHZGGGJGLNT-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.22
Rot. Bonds3

About 3-hydroxy-N-methoxy-N-methylbutanamide

3-hydroxy-N-methoxy-N-methylbutanamide (PubChem CID 73159357) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-hydroxy-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-methoxy-N-methylbutanamide
PubChem CID73159357
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)CC(C)O
InChIInChI=1S/C6H13NO3/c1-5(8)4-6(9)7(2)10-3/h5,8H,4H2,1-3H3
InChIKeyNDBGHZGGGJGLNT-UHFFFAOYSA-N
XLogP-0.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-methoxy-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-hydroxy-N,N-dimethylbutanamide
CID 11600674
(3R)-3-hydroxy-N,N-dimethylbutanamide
CID 11672674
4,4,4-trifluoro-3-hydroxy-N-methoxy-N-methylbutanamide
CID 44248366
3-hydroxy-N,N-dimethylbutanamide
CID 13197444
(3S)-N,3-dimethoxy-N-methylbutanamide
CID 24881353
N,3-dimethoxy-N-methylbutanamide
CID 74343458
(3S)-3-Hydroxy-N-methoxy-N-methyl-butanamide
CID 12156202
(3R)-3-hydroxy-N-methoxy-N-methylbutanamide
CID 11977247
3-hydroxy-N-methoxy-N-methylpropanamide
CID 23226612
(2R)-3-hydroxy-N-methoxy-N,2-dimethylpropanamide
CID 24787605
(3R)-3-hydroperoxy-N-methoxy-N-methylbutanamide
CID 89839394
2-(hydroxymethyl)-N-methoxy-N-methylbutanamide
CID 90959866

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methoxy-N-methylbutanamide?
The IUPAC name of 3-hydroxy-N-methoxy-N-methylbutanamide (CID 73159357) is 3-hydroxy-N-methoxy-N-methylbutanamide.
What is the SMILES notation for 3-hydroxy-N-methoxy-N-methylbutanamide?
The canonical SMILES for 3-hydroxy-N-methoxy-N-methylbutanamide is CON(C)C(=O)CC(C)O.
What is the InChIKey of 3-hydroxy-N-methoxy-N-methylbutanamide?
The InChIKey is NDBGHZGGGJGLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(8)4-6(9)7(2)10-3/h5,8H,4H2,1-3H3.
What are the key properties of 3-hydroxy-N-methoxy-N-methylbutanamide?
3-hydroxy-N-methoxy-N-methylbutanamide has a molecular weight of 147.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 73159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).