1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

C20H21NO3 — CID 2865163

IUPAC1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H21NO3/c1-3-24-18-10-8-17(9-11-18)21-19(22)13-16(20(21)23)12-15-6-4-14(2)5-7-15/h4-11,16H,3,12-13H2,1-2H3
InChIKeyHTKBRZIHLSEISK-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 2865163) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID2865163
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H21NO3/c1-3-24-18-10-8-17(9-11-18)21-19(22)13-16(20(21)23)12-15-6-4-14(2)5-7-15/h4-11,16H,3,12-13H2,1-2H3
InChIKeyHTKBRZIHLSEISK-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 790044
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
(3R)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 950681
(3S)-3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2002534
ethyl 4-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1302728
ethyl 4-(3-benzyl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 3709959
(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 23971103
(3S)-3-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 1262979
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzamide
CID 23803634

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 2865163) is 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is HTKBRZIHLSEISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-24-18-10-8-17(9-11-18)21-19(22)13-16(20(21)23)12-15-6-4-14(2)5-7-15/h4-11,16H,3,12-13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 323.39 g/mol, XLogP of 3.52, 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-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2865163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).