2-hydroxy-N-methoxy-N,2-dimethylpropanamide

C6H13NO3 — CID 18720593

IUPAC2-hydroxy-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-6(2,9)5(8)7(3)10-4/h9H,1-4H3
InChIKeyJTNRCOCNOCTBPV-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.22
Rot. Bonds2

About 2-hydroxy-N-methoxy-N,2-dimethylpropanamide

2-hydroxy-N-methoxy-N,2-dimethylpropanamide (PubChem CID 18720593) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-hydroxy-N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-methoxy-N,2-dimethylpropanamide
PubChem CID18720593
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-hydroxy-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)C(C)(C)O
InChIInChI=1S/C6H13NO3/c1-6(2,9)5(8)7(3)10-4/h9H,1-4H3
InChIKeyJTNRCOCNOCTBPV-UHFFFAOYSA-N
XLogP-0.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of 2-hydroxy-N-methoxy-N,2-dimethylpropanamide (CID 18720593) is 2-hydroxy-N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for 2-hydroxy-N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for 2-hydroxy-N-methoxy-N,2-dimethylpropanamide is CON(C)C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-N-methoxy-N,2-dimethylpropanamide?
The InChIKey is JTNRCOCNOCTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2,9)5(8)7(3)10-4/h9H,1-4H3.
What are the key properties of 2-hydroxy-N-methoxy-N,2-dimethylpropanamide?
2-hydroxy-N-methoxy-N,2-dimethylpropanamide has a molecular weight of 147.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 18720593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).