(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate

C19H15NO5 — CID 5177411

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C19H15NO5/c1-12(17(22)13-7-3-2-4-8-13)25-16(21)11-20-18(23)14-9-5-6-10-15(14)19(20)24/h2-10,12H,11H2,1H3
InChIKeyBEFXQZOQTZVCHH-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.10
Rot. Bonds5

About (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate

(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 5177411) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID5177411
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C19H15NO5/c1-12(17(22)13-7-3-2-4-8-13)25-16(21)11-20-18(23)14-9-5-6-10-15(14)19(20)24/h2-10,12H,11H2,1H3
InChIKeyBEFXQZOQTZVCHH-UHFFFAOYSA-N
XLogP2.10
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate (CID 5177411) is (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate is CC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is BEFXQZOQTZVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-12(17(22)13-7-3-2-4-8-13)25-16(21)11-20-18(23)14-9-5-6-10-15(14)19(20)24/h2-10,12H,11H2,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate?
(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 337.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 5177411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).