3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

C25H29N3O4 — CID 110547147

IUPAC3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-3-32-21-11-9-19(10-12-21)22-23(26(2)20-7-5-4-6-8-20)25(30)28(24(22)29)14-13-27-15-17-31-18-16-27/h4-12H,3,13-18H2,1-2H3
InChIKeyPNRHUGZMGVBOGI-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.63
Rot. Bonds8

About 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (PubChem CID 110547147) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
PubChem CID110547147
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-3-32-21-11-9-19(10-12-21)22-23(26(2)20-7-5-4-6-8-20)25(30)28(24(22)29)14-13-27-15-17-31-18-16-27/h4-12H,3,13-18H2,1-2H3
InChIKeyPNRHUGZMGVBOGI-UHFFFAOYSA-N
XLogP2.63
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110546523
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110588062
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110573112
3-(N-methylanilino)-1-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576448
1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
3-(N-methylanilino)-1-octyl-4-phenylpyrrole-2,5-dione
CID 110560237
3-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110593177
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110549530
1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110558864

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (CID 110547147) is 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is CCOc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The InChIKey is PNRHUGZMGVBOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-32-21-11-9-19(10-12-21)22-23(26(2)20-7-5-4-6-8-20)25(30)28(24(22)29)14-13-27-15-17-31-18-16-27/h4-12H,3,13-18H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione has a molecular weight of 435.52 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110547147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).