N-methoxy-4-oxo-N-phosphanylbutanamide

C5H10NO3P — CID 144617449

IUPACN-methoxy-4-oxo-N-phosphanylbutanamide
SMILESCON(P)C(=O)CCC=O
InChIInChI=1S/C5H10NO3P/c1-9-6(10)5(8)3-2-4-7/h4H,2-3,10H2,1H3
InChIKeyOWJAZEBJWQACIM-UHFFFAOYSA-N
MW163.11 g/mol
LogP0.15
Rot. Bonds4

About N-methoxy-4-oxo-N-phosphanylbutanamide

N-methoxy-4-oxo-N-phosphanylbutanamide (PubChem CID 144617449) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is N-methoxy-4-oxo-N-phosphanylbutanamide.

Molecular Properties

Compound NameN-methoxy-4-oxo-N-phosphanylbutanamide
PubChem CID144617449
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC NameN-methoxy-4-oxo-N-phosphanylbutanamide
SMILESCON(P)C(=O)CCC=O
InChIInChI=1S/C5H10NO3P/c1-9-6(10)5(8)3-2-4-7/h4H,2-3,10H2,1H3
InChIKeyOWJAZEBJWQACIM-UHFFFAOYSA-N
XLogP0.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-oxo-N-phosphanylbutanamide?
The IUPAC name of N-methoxy-4-oxo-N-phosphanylbutanamide (CID 144617449) is N-methoxy-4-oxo-N-phosphanylbutanamide.
What is the SMILES notation for N-methoxy-4-oxo-N-phosphanylbutanamide?
The canonical SMILES for N-methoxy-4-oxo-N-phosphanylbutanamide is CON(P)C(=O)CCC=O.
What is the InChIKey of N-methoxy-4-oxo-N-phosphanylbutanamide?
The InChIKey is OWJAZEBJWQACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c1-9-6(10)5(8)3-2-4-7/h4H,2-3,10H2,1H3.
What are the key properties of N-methoxy-4-oxo-N-phosphanylbutanamide?
N-methoxy-4-oxo-N-phosphanylbutanamide has a molecular weight of 163.11 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-oxo-N-phosphanylbutanamide is sourced from PubChem (CID 144617449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).