(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione

C19H20N2O2 — CID 98187808

IUPAC(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-12-9-13(2)18(14(3)10-12)20-16-11-17(22)21(19(16)23)15-7-5-4-6-8-15/h4-10,16,20H,11H2,1-3H3/t16-/m0/s1
InChIKeyOENNJJINTMXHHK-INIZCTEOSA-N
MW308.38 g/mol
LogP3.36
Rot. Bonds3

About (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione

(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (PubChem CID 98187808) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
PubChem CID98187808
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
SMILESCc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-12-9-13(2)18(14(3)10-12)20-16-11-17(22)21(19(16)23)15-7-5-4-6-8-15/h4-10,16,20H,11H2,1-3H3/t16-/m0/s1
InChIKeyOENNJJINTMXHHK-INIZCTEOSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.36
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)-1-(4-methylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51859833
(3R)-1-(4-fluorophenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860244
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
(3S)-3-(2,6-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51859832
(3R)-3-(2,6-dimethylanilino)-1-(3,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 51859939
1-(3,5-dimethylphenyl)-3-(2-methylanilino)pyrrolidine-2,5-dione
CID 138958689
4-[(3R)-3-(2,6-dimethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523283
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 695428
3-(2,5-dimethylanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 43844310

Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione (CID 98187808) is (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c(C)c1.
What is the InChIKey of (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
The InChIKey is OENNJJINTMXHHK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-9-13(2)18(14(3)10-12)20-16-11-17(22)21(19(16)23)15-7-5-4-6-8-15/h4-10,16,20H,11H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione?
(3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-phenyl-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98187808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).