(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione

C19H20N2O2 — CID 6922479

IUPAC(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(NN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)14-8-10-16(11-9-14)20-21-18(22)12-17(19(21)23)15-6-4-3-5-7-15/h3-11,13,17,20H,12H2,1-2H3/t17-/m0/s1
InChIKeyYLZARTZXPIEESK-KRWDZBQOSA-N
MW308.38 g/mol
LogP3.68
Rot. Bonds4

About (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione

(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione (PubChem CID 6922479) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
PubChem CID6922479
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
SMILESCC(C)c1ccc(NN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)14-8-10-16(11-9-14)20-21-18(22)12-17(19(21)23)15-6-4-3-5-7-15/h3-11,13,17,20H,12H2,1-2H3/t17-/m0/s1
InChIKeyYLZARTZXPIEESK-KRWDZBQOSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-phenyl-1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]pyrrolidine-2,5-dione
CID 9279605
1-cyclobutyl-3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 176647599
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylpyrrolidine-2,5-dione
CID 106159464
5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
CID 82846688
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44571023
1-(2,6-dimethoxyphenyl)-3-phenylpyrrolidine-2,5-dione
CID 122395021
(3R)-1-(2,6-dimethylphenyl)-4-phenyl-3-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 7097601

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione (CID 6922479) is (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione is CC(C)c1ccc(NN2C(=O)C[C@@H](c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is YLZARTZXPIEESK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)14-8-10-16(11-9-14)20-21-18(22)12-17(19(21)23)15-6-4-3-5-7-15/h3-11,13,17,20H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione?
(3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1-(4-propan-2-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 6922479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).