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

C20H21NO2 — CID 795685

IUPAC(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H21NO2/c1-15-7-9-17(10-8-15)13-18-14-19(22)21(20(18)23)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyWXPMEDDNQFOWAS-SFHVURJKSA-N
MW307.39 g/mol
LogP3.16
Rot. Bonds5

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

(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 795685) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID795685
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCc1ccc(C[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H21NO2/c1-15-7-9-17(10-8-15)13-18-14-19(22)21(20(18)23)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyWXPMEDDNQFOWAS-SFHVURJKSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2254425
3-benzyl-1-ethylpyrrolidine-2,5-dione
CID 3063281
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
4-(4-methylphenyl)-1-(2-phenylethyl)piperidine-2,6-dione
CID 46298395
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259
3-benzyl-1-methylpyrrolidine-2,5-dione
CID 3064864
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
(3S)-1-(2-iodophenyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 1369685
(3S)-3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 1119989

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 795685) is (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione is Cc1ccc(C[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is WXPMEDDNQFOWAS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-7-9-17(10-8-15)13-18-14-19(22)21(20(18)23)12-11-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 307.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 795685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).