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

C23H32N2O4 — CID 110556960

IUPAC3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
SMILESCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C23H32N2O4/c1-3-4-5-6-7-8-13-25-22(26)20(18-9-11-19(28-2)12-10-18)21(23(25)27)24-14-16-29-17-15-24/h9-12H,3-8,13-17H2,1-2H3
InChIKeySKLUGJCGVMPIEM-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.47
Rot. Bonds10

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

3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione (PubChem CID 110556960) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
PubChem CID110556960
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
SMILESCCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C23H32N2O4/c1-3-4-5-6-7-8-13-25-22(26)20(18-9-11-19(28-2)12-10-18)21(23(25)27)24-14-16-29-17-15-24/h9-12H,3-8,13-17H2,1-2H3
InChIKeySKLUGJCGVMPIEM-UHFFFAOYSA-N
XLogP3.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556756
1-hexyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556763
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
3-(4-methoxyphenyl)-4-piperidin-1-yl-1-propylpyrrole-2,5-dione
CID 110556267
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110572721
3-(4-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-hexylpyrrole-2,5-dione
CID 110547019
1-butyl-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110556246
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
1-hexyl-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110572931
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
3-(4-ethylpiperazin-1-yl)-1-octyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577182
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione (CID 110556960) is 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione is CCCCCCCCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCOCC2)C1=O.
What is the InChIKey of 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione?
The InChIKey is SKLUGJCGVMPIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-3-4-5-6-7-8-13-25-22(26)20(18-9-11-19(28-2)12-10-18)21(23(25)27)24-14-16-29-17-15-24/h9-12H,3-8,13-17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione has a molecular weight of 400.52 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione is sourced from PubChem (CID 110556960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).