(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione

C20H19N3O2 — CID 124560433

IUPAC(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](Nc3ccc4cc[nH]c4c3)C2=O)c(C)c1
InChIInChI=1S/C20H19N3O2/c1-12-3-6-18(13(2)9-12)23-19(24)11-17(20(23)25)22-15-5-4-14-7-8-21-16(14)10-15/h3-10,17,21-22H,11H2,1-2H3/t17-/m1/s1
InChIKeySPQUZIPVRIPOOA-QGZVFWFLSA-N
MW333.39 g/mol
LogP3.53
Rot. Bonds3

About (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione

(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione (PubChem CID 124560433) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
PubChem CID124560433
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)C[C@@H](Nc3ccc4cc[nH]c4c3)C2=O)c(C)c1
InChIInChI=1S/C20H19N3O2/c1-12-3-6-18(13(2)9-12)23-19(24)11-17(20(23)25)22-15-5-4-14-7-8-21-16(14)10-15/h3-10,17,21-22H,11H2,1-2H3/t17-/m1/s1
InChIKeySPQUZIPVRIPOOA-QGZVFWFLSA-N
XLogP3.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560441
(3R)-1-(2,4-dibromophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 99129593
(3R)-1-(2,4-dichlorophenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione
CID 124560438
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 43844445
(3S)-1-(2,4-dimethylphenyl)-3-(3-nitroanilino)pyrrolidine-2,5-dione
CID 7928088
4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 2427402
(3R)-1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylanilino)pyrrolidine-2,5-dione
CID 1332766
1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
CID 5174295
(3S)-1-(2,5-dimethylphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 51859976

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione (CID 124560433) is (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)C[C@@H](Nc3ccc4cc[nH]c4c3)C2=O)c(C)c1.
What is the InChIKey of (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
The InChIKey is SPQUZIPVRIPOOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-3-6-18(13(2)9-12)23-19(24)11-17(20(23)25)22-15-5-4-14-7-8-21-16(14)10-15/h3-10,17,21-22H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione?
(3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione has a molecular weight of 333.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethylphenyl)-3-(1H-indol-6-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 124560433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).