3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

C18H18N2O2 — CID 2890402

IUPAC3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NCc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)20-17(21)11-16(18(20)22)19-12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChIKeyBUBLHLJLOQFTKM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.42
Rot. Bonds4

About 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2890402) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2890402
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NCc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)20-17(21)11-16(18(20)22)19-12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChIKeyBUBLHLJLOQFTKM-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

[2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[(4-methylphenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21168459
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
[2-(2-chlorophenyl)-2-oxoethyl] 4-[3-[(4-methylphenyl)methylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23099131
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(pyridin-3-ylmethylamino)pyrrolidine-2,5-dione
CID 97267744
(3R)-1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrrolidine-2,5-dione
CID 683439
(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-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2888961
(3S)-3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 875245

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 2890402) is 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(NCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is BUBLHLJLOQFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-7-9-15(10-8-13)20-17(21)11-16(18(20)22)19-12-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2890402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).