3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione

C23H26N2O3 — CID 110594862

IUPAC3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione
SMILESCCOCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O3/c1-4-28-12-8-11-25-22(26)20(18-9-6-5-7-10-18)21(23(25)27)24-19-14-16(2)13-17(3)15-19/h5-7,9-10,13-15,24H,4,8,11-12H2,1-3H3
InChIKeyWECLNEDMNBQGEC-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.92
Rot. Bonds8

About 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione

3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110594862) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione
PubChem CID110594862
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione
SMILESCCOCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O3/c1-4-28-12-8-11-25-22(26)20(18-9-6-5-7-10-18)21(23(25)27)24-19-14-16(2)13-17(3)15-19/h5-7,9-10,13-15,24H,4,8,11-12H2,1-3H3
InChIKeyWECLNEDMNBQGEC-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
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

1-(3-ethoxypropyl)-3-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110573092
3-(3,5-dimethylanilino)-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594911
1-(3-ethoxypropyl)-3-(3-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593126
3-(2,5-dimethylanilino)-4-(4-ethoxyphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110588052
3-(3,4-dimethylphenyl)-1-(3-ethoxypropyl)-4-(3-fluoroanilino)pyrrole-2,5-dione
CID 110589165
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110588032
3-(3,4-dimethylanilino)-1-[2-(3,5-dimethylphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594936
3-(4-ethoxyanilino)-1-(3-ethoxypropyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586574
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-(4-fluoroanilino)pyrrole-2,5-dione
CID 110588039
3-[4-(dimethylamino)anilino]-1-(3-ethoxypropyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593131
3-benzylsulfanyl-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione
CID 110560148
1-butyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 69145630

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione (CID 110594862) is 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione is CCOCCCN1C(=O)C(Nc2cc(C)cc(C)c2)=C(c2ccccc2)C1=O.
What is the InChIKey of 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is WECLNEDMNBQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-28-12-8-11-25-22(26)20(18-9-6-5-7-10-18)21(23(25)27)24-19-14-16(2)13-17(3)15-19/h5-7,9-10,13-15,24H,4,8,11-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione?
3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 378.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-1-(3-ethoxypropyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).