(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione

C23H25N3O3 — CID 27904241

IUPAC(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(C)cc23)C1=O
InChIInChI=1S/C23H25N3O3/c1-3-29-21-7-5-4-6-20(21)26-22(27)13-19(23(26)28)24-11-10-16-14-25-18-9-8-15(2)12-17(16)18/h4-9,12,14,19,24-25H,3,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyVJYQJIFOEVYULM-IBGZPJMESA-N
MW391.47 g/mol
LogP3.34
Rot. Bonds7

About (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione

(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 27904241) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
PubChem CID27904241
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(C)cc23)C1=O
InChIInChI=1S/C23H25N3O3/c1-3-29-21-7-5-4-6-20(21)26-22(27)13-19(23(26)28)24-11-10-16-14-25-18-9-8-15(2)12-17(16)18/h4-9,12,14,19,24-25H,3,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyVJYQJIFOEVYULM-IBGZPJMESA-N
XLogP3.34
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(3S)-1-(2-chloro-4-methylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350243
(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350173
(3R)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 124542493
3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 4874274
(3R)-1-(2-ethoxyphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188169
1-(5-chloro-2-methylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874247
1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874251
(3R)-1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7335759
3-[2-(1H-indol-3-yl)ethylamino]-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 17067490
(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione (CID 27904241) is (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccc(C)cc23)C1=O.
What is the InChIKey of (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is VJYQJIFOEVYULM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-29-21-7-5-4-6-20(21)26-22(27)13-19(23(26)28)24-11-10-16-14-25-18-9-8-15(2)12-17(16)18/h4-9,12,14,19,24-25H,3,10-11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione?
(3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 391.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 27904241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).