3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione

C24H26N2O5 — CID 110567402

IUPAC3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O
InChIInChI=1S/C24H26N2O5/c1-3-14-31-20-11-7-5-9-18(20)26-23(27)21(17-8-4-6-10-19(17)29-2)22(24(26)28)25-12-15-30-16-13-25/h4-11H,3,12-16H2,1-2H3
InChIKeyLKKDQSJWJMPRGL-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.10
Rot. Bonds7

About 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione

3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110567402) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110567402
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccccc1N1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O
InChIInChI=1S/C24H26N2O5/c1-3-14-31-20-11-7-5-9-18(20)26-23(27)21(17-8-4-6-10-19(17)29-2)22(24(26)28)25-12-15-30-16-13-25/h4-11H,3,12-16H2,1-2H3
InChIKeyLKKDQSJWJMPRGL-UHFFFAOYSA-N
XLogP3.10
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.10
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-(2-methoxyphenyl)-4-piperidin-1-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567397
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566840
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797
3-(2-methoxyphenyl)-1-(3-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565222
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110567613
3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565180
1-(3-chloro-4-methoxyphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566761
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1,4-bis(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567460
1-(2-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110567665
N-[4-[3-(2-methoxyphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110567287

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione (CID 110567402) is 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccccc1N1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is LKKDQSJWJMPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-14-31-20-11-7-5-9-18(20)26-23(27)21(17-8-4-6-10-19(17)29-2)22(24(26)28)25-12-15-30-16-13-25/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione?
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 422.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).