(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

C26H23N3O3 — CID 27892840

IUPAC(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c30-25-16-24(27-15-14-18-17-28-23-9-5-4-8-22(18)23)26(31)29(25)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,17,24,27-28H,14-16H2/t24-/m0/s1
InChIKeyPHXANQWWTGSHOR-DEOSSOPVSA-N
MW425.49 g/mol
LogP4.42
Rot. Bonds7

About (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 27892840) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
PubChem CID27892840
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N3O3/c30-25-16-24(27-15-14-18-17-28-23-9-5-4-8-22(18)23)26(31)29(25)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,17,24,27-28H,14-16H2/t24-/m0/s1
InChIKeyPHXANQWWTGSHOR-DEOSSOPVSA-N
XLogP4.42
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.42
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

(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709
(3R)-1-(3-chloro-4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7357869
(3R)-1-(2-ethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350173
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
3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid
CID 90485752
1-(3-methoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874263
ethyl 4-[(3S)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27892820
(3S)-1-(4-bromophenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 40818428
(3S)-1-(2-chloro-4-methylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 9350243
(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 (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione (CID 27892840) is (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione is O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is PHXANQWWTGSHOR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25-16-24(27-15-14-18-17-28-23-9-5-4-8-22(18)23)26(31)29(25)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,17,24,27-28H,14-16H2/t24-/m0/s1.
What are the key properties of (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione?
(3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 425.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(1H-indol-3-yl)ethylamino]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 27892840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).