3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione

C20H19NO4 — CID 22292880

IUPAC3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCC(=O)CC1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C20H19NO4/c1-14(22)11-16-12-19(23)21(20(16)24)13-15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3
InChIKeyKMJBOIIRNYZACY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.33
Rot. Bonds6

About 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione

3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 22292880) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID22292880
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCC(=O)CC1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C20H19NO4/c1-14(22)11-16-12-19(23)21(20(16)24)13-15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3
InChIKeyKMJBOIIRNYZACY-UHFFFAOYSA-N
XLogP3.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 22292880) is 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione is CC(=O)CC1CC(=O)N(Cc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is KMJBOIIRNYZACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14(22)11-16-12-19(23)21(20(16)24)13-15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-13H2,1H3.
What are the key properties of 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione?
3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 337.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22292880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).