N-methoxy-4-oxobutanamide

C5H9NO3 — CID 126994320

IUPACN-methoxy-4-oxobutanamide
SMILESCONC(=O)CCC=O
InChIInChI=1S/C5H9NO3/c1-9-6-5(8)3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
InChIKeyAYNTWFWLTASBLS-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.36
Rot. Bonds4

About N-methoxy-4-oxobutanamide

N-methoxy-4-oxobutanamide (PubChem CID 126994320) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-methoxy-4-oxobutanamide.

Molecular Properties

Compound NameN-methoxy-4-oxobutanamide
PubChem CID126994320
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-methoxy-4-oxobutanamide
SMILESCONC(=O)CCC=O
InChIInChI=1S/C5H9NO3/c1-9-6-5(8)3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
InChIKeyAYNTWFWLTASBLS-UHFFFAOYSA-N
XLogP-0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-5-oxopentanamide
CID 91086399
N-methoxy-9-oxononanamide
CID 144851599
N-hydroperoxy-4-oxobutanamide
CID 90201335
4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
4-iodo-N-methoxybutanamide
CID 141466825
N-methoxyicos-4-enamide
CID 173091875
6-chloro-N-methoxyhexanamide
CID 90073847
[4-(methoxyamino)-4-oxobutyl]phosphonic acid
CID 71458600
4-oxo-N-propan-2-ylbutanamide
CID 87543114
N-methoxy-4-methylpent-4-enamide
CID 135084610
N-methoxy-7-methyloctanamide
CID 174552254

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-oxobutanamide?
The IUPAC name of N-methoxy-4-oxobutanamide (CID 126994320) is N-methoxy-4-oxobutanamide.
What is the SMILES notation for N-methoxy-4-oxobutanamide?
The canonical SMILES for N-methoxy-4-oxobutanamide is CONC(=O)CCC=O.
What is the InChIKey of N-methoxy-4-oxobutanamide?
The InChIKey is AYNTWFWLTASBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-6-5(8)3-2-4-7/h4H,2-3H2,1H3,(H,6,8).
What are the key properties of N-methoxy-4-oxobutanamide?
N-methoxy-4-oxobutanamide has a molecular weight of 131.13 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-oxobutanamide is sourced from PubChem (CID 126994320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).