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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Related Compounds

3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594986
3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594969
3-(3,5-dimethylanilino)-1-(2-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110595207
3-anilino-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110585459
3-(3-fluoroanilino)-4-(4-fluorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110586633
3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione
CID 110594862
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110599618
3-(3,5-dimethylanilino)-4-phenyl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110593933
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
3-(4-fluorophenyl)-1-propan-2-yl-4-[3-(trifluoromethyl)anilino]pyrrole-2,5-dione
CID 110586637
3-(3,5-dimethylanilino)-4-(4-nitrophenyl)-1-phenylpyrrole-2,5-dione
CID 110585627
3-(3,5-dimethylanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594911

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).