3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

C26H31N3O3 — CID 110573112

IUPAC3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2ccc(C)cc2)C(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C26H31N3O3/c1-3-28(19-21-7-5-4-6-8-21)24-23(22-11-9-20(2)10-12-22)25(30)29(26(24)31)14-13-27-15-17-32-18-16-27/h4-12H,3,13-19H2,1-2H3
InChIKeyGCSSVXUKDCFYIB-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.93
Rot. Bonds8

About 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione

3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (PubChem CID 110573112) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
PubChem CID110573112
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2ccc(C)cc2)C(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C26H31N3O3/c1-3-28(19-21-7-5-4-6-8-21)24-23(22-11-9-20(2)10-12-22)25(30)29(26(24)31)14-13-27-15-17-32-18-16-27/h4-12H,3,13-19H2,1-2H3
InChIKeyGCSSVXUKDCFYIB-UHFFFAOYSA-N
XLogP2.93
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(ethyl)amino]-1-ethyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572443
3-[benzyl(ethyl)amino]-4-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569288
3-[benzyl(ethyl)amino]-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572801
3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110543180
3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572179
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110547147
3-[benzyl(ethyl)amino]-4-(4-ethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110546629
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
3-[benzyl(ethyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110551216
3-[benzyl(ethyl)amino]-4-(4-nitrophenyl)-1-pentylpyrrole-2,5-dione
CID 110541245
3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110544202
3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110564113

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione (CID 110573112) is 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is CCN(Cc1ccccc1)C1=C(c2ccc(C)cc2)C(=O)N(CCN2CCOCC2)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
The InChIKey is GCSSVXUKDCFYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-28(19-21-7-5-4-6-8-21)24-23(22-11-9-20(2)10-12-22)25(30)29(26(24)31)14-13-27-15-17-32-18-16-27/h4-12H,3,13-19H2,1-2H3.
What are the key properties of 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione?
3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione has a molecular weight of 433.55 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).