3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione

C22H30N2O4 — CID 110549184

IUPAC3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(CCCOC(C)C)C2=O)cc1C
InChIInChI=1S/C22H30N2O4/c1-15(2)28-11-5-8-24-21(25)19(18-7-6-16(3)17(4)14-18)20(22(24)26)23-9-12-27-13-10-23/h6-7,14-15H,5,8-13H2,1-4H3
InChIKeyOEUQOFSJSWFLGO-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.53
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione

3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione (PubChem CID 110549184) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
PubChem CID110549184
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCOCC3)C(=O)N(CCCOC(C)C)C2=O)cc1C
InChIInChI=1S/C22H30N2O4/c1-15(2)28-11-5-8-24-21(25)19(18-7-6-16(3)17(4)14-18)20(22(24)26)23-9-12-27-13-10-23/h6-7,14-15H,5,8-13H2,1-4H3
InChIKeyOEUQOFSJSWFLGO-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.53
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

3-(3,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110549181
3-(3,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110549525
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110572721
3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110564377
3-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549142
3-(3,4-dimethylphenyl)-4-(2-hydroxyethylsulfanyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110549207
3-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110572565
3-(4-nitrophenyl)-1-(3-propan-2-yloxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110541603
3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110589015
3-(1,3-benzodioxol-5-ylamino)-4-(3,4-dimethylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110549200
3-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-pentylpyrrole-2,5-dione
CID 110548777
3-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-1-pentylpyrrole-2,5-dione
CID 110548769

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione (CID 110549184) is 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCOCC3)C(=O)N(CCCOC(C)C)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
The InChIKey is OEUQOFSJSWFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-15(2)28-11-5-8-24-21(25)19(18-7-6-16(3)17(4)14-18)20(22(24)26)23-9-12-27-13-10-23/h6-7,14-15H,5,8-13H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione?
3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione has a molecular weight of 386.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110549184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).