3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione

C25H24N2O4 — CID 110547775

IUPAC3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(C)CCO)C(=O)N(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H24N2O4/c1-3-31-19-13-11-18(12-14-19)22-23(26(2)15-16-28)25(30)27(24(22)29)21-10-6-8-17-7-4-5-9-20(17)21/h4-14,28H,3,15-16H2,1-2H3
InChIKeyUVUICMZQCMCZQS-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.45
Rot. Bonds7

About 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 110547775) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID110547775
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(C)CCO)C(=O)N(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C25H24N2O4/c1-3-31-19-13-11-18(12-14-19)22-23(26(2)15-16-28)25(30)27(24(22)29)21-10-6-8-17-7-4-5-9-20(17)21/h4-14,28H,3,15-16H2,1-2H3
InChIKeyUVUICMZQCMCZQS-UHFFFAOYSA-N
XLogP3.45
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561417
1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110548140
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110547860
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547738
1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547467
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-propylpyrrole-2,5-dione
CID 110546593
3-[2-hydroxyethyl(methyl)amino]-1-(2-methylphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576211
1-(2,3-dichlorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-phenylpyrrole-2,5-dione
CID 110562231
3-(4-chlorophenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110570518
3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561422
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561457

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione (CID 110547775) is 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione is CCOc1ccc(C2=C(N(C)CCO)C(=O)N(c3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is UVUICMZQCMCZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-3-31-19-13-11-18(12-14-19)22-23(26(2)15-16-28)25(30)27(24(22)29)21-10-6-8-17-7-4-5-9-20(17)21/h4-14,28H,3,15-16H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 416.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110547775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).