Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate

C₁₃H₁₆NO₅PCAS 33512-26-4297.25 g/mol

Open in Covalent MOL file

Amide Lactam Phosphonate

Properties

Molecular formula: C₁₃H₁₆NO₅P
Molar mass: 297.25 g/mol
Exact mass: 297.0766 Da
logP: 2.51Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

33512-26-4

SMILES

CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC

InChIKey

IUZMHUAHKBHJFY-UHFFFAOYSA-N

InChI

InChI=1S/C13H16NO5P/c1-3-18-20(17,19-4-2)9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Diethyl (phthalimidomethyl)phosphonate

Work with Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phthalimidoacetaldehyde diethyl acetal78902-09-755 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-753 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-650 % similar N-Carbethoxyphthalimide22509-74-649 % similar N-Butylphthalimide1515-72-648 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-646 % similar Naftalofos1491-41-446 % similar Ethyl phthalimidomalonate5680-61-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook