ethane;N-hydroxy-N-methyl-4-oxobutanamide

C7H15NO3 — CID 143767393

IUPACethane;N-hydroxy-N-methyl-4-oxobutanamide
SMILESCC.CN(O)C(=O)CCC=O
InChIInChI=1S/C5H9NO3.C2H6/c1-6(9)5(8)3-2-4-7;1-2/h4,9H,2-3H2,1H3;1-2H3
InChIKeyBPLPJCXMWXIWRE-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.84
Rot. Bonds3

About ethane;N-hydroxy-N-methyl-4-oxobutanamide

ethane;N-hydroxy-N-methyl-4-oxobutanamide (PubChem CID 143767393) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethane;N-hydroxy-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Nameethane;N-hydroxy-N-methyl-4-oxobutanamide
PubChem CID143767393
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethane;N-hydroxy-N-methyl-4-oxobutanamide
SMILESCC.CN(O)C(=O)CCC=O
InChIInChI=1S/C5H9NO3.C2H6/c1-6(9)5(8)3-2-4-7;1-2/h4,9H,2-3H2,1H3;1-2H3
InChIKeyBPLPJCXMWXIWRE-UHFFFAOYSA-N
XLogP0.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-methyl-4-oxobutanamide?
The IUPAC name of ethane;N-hydroxy-N-methyl-4-oxobutanamide (CID 143767393) is ethane;N-hydroxy-N-methyl-4-oxobutanamide.
What is the SMILES notation for ethane;N-hydroxy-N-methyl-4-oxobutanamide?
The canonical SMILES for ethane;N-hydroxy-N-methyl-4-oxobutanamide is CC.CN(O)C(=O)CCC=O.
What is the InChIKey of ethane;N-hydroxy-N-methyl-4-oxobutanamide?
The InChIKey is BPLPJCXMWXIWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C2H6/c1-6(9)5(8)3-2-4-7;1-2/h4,9H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-hydroxy-N-methyl-4-oxobutanamide?
ethane;N-hydroxy-N-methyl-4-oxobutanamide has a molecular weight of 161.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-N-methyl-4-oxobutanamide is sourced from PubChem (CID 143767393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).