3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione

C22H24N2O3 — CID 110565855

IUPAC3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C22H24N2O3/c1-4-15-24-21(25)19(17-13-9-10-14-18(17)27-3)20(22(24)26)23(5-2)16-11-7-6-8-12-16/h6-14H,4-5,15H2,1-3H3
InChIKeyNHPPMONDEPAEHR-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.71
Rot. Bonds7

About 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione

3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione (PubChem CID 110565855) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
PubChem CID110565855
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C22H24N2O3/c1-4-15-24-21(25)19(17-13-9-10-14-18(17)27-3)20(22(24)26)23(5-2)16-11-7-6-8-12-16/h6-14H,4-5,15H2,1-3H3
InChIKeyNHPPMONDEPAEHR-UHFFFAOYSA-N
XLogP3.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566335
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566420
3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566263
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110567438
1-(3-butoxypropyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566422
1-cycloheptyl-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566081
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione
CID 110548870
3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565810
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110564488
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565770
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563850
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110597586

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione (CID 110565855) is 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
The InChIKey is NHPPMONDEPAEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-15-24-21(25)19(17-13-9-10-14-18(17)27-3)20(22(24)26)23(5-2)16-11-7-6-8-12-16/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione?
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione has a molecular weight of 364.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110565855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).