3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione

C21H22N2O2 — CID 110594972

IUPAC3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(c3ccccc3)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C21H22N2O2/c1-13(2)23-20(24)18(16-8-6-5-7-9-16)19(21(23)25)22-17-11-14(3)10-15(4)12-17/h5-13,22H,1-4H3
InChIKeyGJOWTBPKWJOWNR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.90
Rot. Bonds4

About 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione

3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110594972) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110594972
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
SMILESCc1cc(C)cc(NC2=C(c3ccccc3)C(=O)N(C(C)C)C2=O)c1
InChIInChI=1S/C21H22N2O2/c1-13(2)23-20(24)18(16-8-6-5-7-9-16)19(21(23)25)22-17-11-14(3)10-15(4)12-17/h5-13,22H,1-4H3
InChIKeyGJOWTBPKWJOWNR-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione (CID 110594972) is 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione is Cc1cc(C)cc(NC2=C(c3ccccc3)C(=O)N(C(C)C)C2=O)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is GJOWTBPKWJOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)23-20(24)18(16-8-6-5-7-9-16)19(21(23)25)22-17-11-14(3)10-15(4)12-17/h5-13,22H,1-4H3.
What are the key properties of 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 334.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110594972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).