(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione

C21H25N3O2 — CID 40696755

IUPAC(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@@H](NCCNc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-3-16-6-10-18(11-7-16)24-20(25)14-19(21(24)26)23-13-12-22-17-8-4-15(2)5-9-17/h4-11,19,22-23H,3,12-14H2,1-2H3/t19-/m1/s1
InChIKeyVPYALCKGNUAWBX-LJQANCHMSA-N
MW351.45 g/mol
LogP2.89
Rot. Bonds7

About (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione

(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione (PubChem CID 40696755) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione
PubChem CID40696755
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)C[C@@H](NCCNc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-3-16-6-10-18(11-7-16)24-20(25)14-19(21(24)26)23-13-12-22-17-8-4-15(2)5-9-17/h4-11,19,22-23H,3,12-14H2,1-2H3/t19-/m1/s1
InChIKeyVPYALCKGNUAWBX-LJQANCHMSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
(3S)-1-(4-ethylphenyl)-3-(2,4,6-trimethylanilino)pyrrolidine-2,5-dione
CID 51860065
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
3-(tert-butylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 71669968
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-3-(4-ethylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7928162
(3R)-3-[2-(2-methoxyphenyl)ethylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 822039
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione (CID 40696755) is (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)C[C@@H](NCCNc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is VPYALCKGNUAWBX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-16-6-10-18(11-7-16)24-20(25)14-19(21(24)26)23-13-12-22-17-8-4-15(2)5-9-17/h4-11,19,22-23H,3,12-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione?
(3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 351.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-3-[2-(4-methylanilino)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 40696755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).