(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione

C18H18N2O2 — CID 766662

IUPAC(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
SMILESCCc1cccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C18H18N2O2/c1-2-13-7-6-8-14(11-13)19-16-12-17(21)20(18(16)22)15-9-4-3-5-10-15/h3-11,16,19H,2,12H2,1H3/t16-/m0/s1
InChIKeyVCZBBYCJWMOZDC-INIZCTEOSA-N
MW294.35 g/mol
LogP2.99
Rot. Bonds4

About (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione

(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 766662) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
PubChem CID766662
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione
SMILESCCc1cccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C18H18N2O2/c1-2-13-7-6-8-14(11-13)19-16-12-17(21)20(18(16)22)15-9-4-3-5-10-15/h3-11,16,19H,2,12H2,1H3/t16-/m0/s1
InChIKeyVCZBBYCJWMOZDC-INIZCTEOSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
CID 43410376
1-(4-ethylphenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 43844549
3-(3-ethylanilino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637995
3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 2872674
(3S)-3-(naphthalen-2-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 695428
(3R)-1-(2-ethylphenyl)-3-(3-methylanilino)pyrrolidine-2,5-dione
CID 98188051
(3S)-3-(2,6-dimethylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860063
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
(3S)-1-(4-ethylphenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
CID 51860070
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
(3S)-3-anilino-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2085450

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione (CID 766662) is (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione is CCc1cccc(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c1.
What is the InChIKey of (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is VCZBBYCJWMOZDC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-13-7-6-8-14(11-13)19-16-12-17(21)20(18(16)22)15-9-4-3-5-10-15/h3-11,16,19H,2,12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione?
(3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-ethylanilino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 766662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).