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

C20H17NO5 — CID 2914550

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(OC(=O)C(C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C20H17NO5/c1-12(21-18(23)15-10-6-7-11-16(15)19(21)24)20(25)26-13(2)17(22)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyNKKQNFXAIWZFFI-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.49
Rot. Bonds5

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

(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 2914550) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID2914550
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCC(OC(=O)C(C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C20H17NO5/c1-12(21-18(23)15-10-6-7-11-16(15)19(21)24)20(25)26-13(2)17(22)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyNKKQNFXAIWZFFI-UHFFFAOYSA-N
XLogP2.49
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 2914550) is (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(OC(=O)C(C)N1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is NKKQNFXAIWZFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-12(21-18(23)15-10-6-7-11-16(15)19(21)24)20(25)26-13(2)17(22)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate?
(1-oxo-1-phenylpropan-2-yl) 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 351.36 g/mol, XLogP of 2.49, 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)propanoate is sourced from PubChem (CID 2914550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).