1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

C20H21NO3 — CID 2865903

IUPAC1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(C(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H21NO3/c1-3-24-17-11-9-16(10-12-17)21-19(22)13-18(20(21)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3
InChIKeySCYNSNREGRUGKA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2865903) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2865903
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(C(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H21NO3/c1-3-24-17-11-9-16(10-12-17)21-19(22)13-18(20(21)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3
InChIKeySCYNSNREGRUGKA-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 671190
4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566
1-(4-nitrophenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865818
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
CID 23743830
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
(3S)-1-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7447770
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 6944402

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (CID 2865903) is 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(C(C)c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is SCYNSNREGRUGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-24-17-11-9-16(10-12-17)21-19(22)13-18(20(21)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 323.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2865903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).