1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C19H24N2O4 — CID 110565797

IUPAC1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O
InChIInChI=1S/C19H24N2O4/c1-3-4-9-21-18(22)16(14-7-5-6-8-15(14)24-2)17(19(21)23)20-10-12-25-13-11-20/h5-8H,3-4,9-13H2,1-2H3
InChIKeyKFUCYTKGVZGHEC-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.91
Rot. Bonds6

About 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110565797) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110565797
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCCCCN1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O
InChIInChI=1S/C19H24N2O4/c1-3-4-9-21-18(22)16(14-7-5-6-8-15(14)24-2)17(19(21)23)20-10-12-25-13-11-20/h5-8H,3-4,9-13H2,1-2H3
InChIKeyKFUCYTKGVZGHEC-UHFFFAOYSA-N
XLogP1.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110565797) is 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is CCCCN1C(=O)C(c2ccccc2OC)=C(N2CCOCC2)C1=O.
What is the InChIKey of 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is KFUCYTKGVZGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-4-9-21-18(22)16(14-7-5-6-8-15(14)24-2)17(19(21)23)20-10-12-25-13-11-20/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110565797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).