(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione

C22H23N3O2 — CID 9350173

IUPAC(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C22H23N3O2/c1-2-15-7-3-6-10-20(15)25-21(26)13-19(22(25)27)23-12-11-16-14-24-18-9-5-4-8-17(16)18/h3-10,14,19,23-24H,2,11-13H2,1H3/t19-/m1/s1
InChIKeySSCDIJLWHFYWPE-LJQANCHMSA-N
MW361.44 g/mol
LogP3.19
Rot. Bonds6

About (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione

(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 9350173) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID9350173
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C22H23N3O2/c1-2-15-7-3-6-10-20(15)25-21(26)13-19(22(25)27)23-12-11-16-14-24-18-9-5-4-8-17(16)18/h3-10,14,19,23-24H,2,11-13H2,1H3/t19-/m1/s1
InChIKeySSCDIJLWHFYWPE-LJQANCHMSA-N
XLogP3.19
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.19
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

3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 17067490
(3S)-1-(2-chloro-4-methylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350243
(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709
(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 27892840
3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 4874274
(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 27904241
(3R)-1-(3-chloro-4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7357869
(3S)-1-(4-bromophenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 40818428
1-(3-methoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874263
(3R)-1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7335759
1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874251
(3R)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 40520421

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione (CID 9350173) is (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione is CCc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is SSCDIJLWHFYWPE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-15-7-3-6-10-20(15)25-21(26)13-19(22(25)27)23-12-11-16-14-24-18-9-5-4-8-17(16)18/h3-10,14,19,23-24H,2,11-13H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 361.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 9350173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).