ethane;N-hydroxy-N-methylpropanamide

C6H15NO2 — CID 143383179

IUPACethane;N-hydroxy-N-methylpropanamide
SMILESCC.CCC(=O)N(C)O
InChIInChI=1S/C4H9NO2.C2H6/c1-3-4(6)5(2)7;1-2/h7H,3H2,1-2H3;1-2H3
InChIKeyKMGFUWGXBIOKHU-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.27
Rot. Bonds1

About ethane;N-hydroxy-N-methylpropanamide

ethane;N-hydroxy-N-methylpropanamide (PubChem CID 143383179) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is ethane;N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Nameethane;N-hydroxy-N-methylpropanamide
PubChem CID143383179
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Nameethane;N-hydroxy-N-methylpropanamide
SMILESCC.CCC(=O)N(C)O
InChIInChI=1S/C4H9NO2.C2H6/c1-3-4(6)5(2)7;1-2/h7H,3H2,1-2H3;1-2H3
InChIKeyKMGFUWGXBIOKHU-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-N-methylpropanamide?
The IUPAC name of ethane;N-hydroxy-N-methylpropanamide (CID 143383179) is ethane;N-hydroxy-N-methylpropanamide.
What is the SMILES notation for ethane;N-hydroxy-N-methylpropanamide?
The canonical SMILES for ethane;N-hydroxy-N-methylpropanamide is CC.CCC(=O)N(C)O.
What is the InChIKey of ethane;N-hydroxy-N-methylpropanamide?
The InChIKey is KMGFUWGXBIOKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2H6/c1-3-4(6)5(2)7;1-2/h7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-hydroxy-N-methylpropanamide?
ethane;N-hydroxy-N-methylpropanamide has a molecular weight of 133.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 143383179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).