3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

C17H22N2O3 — CID 3139865

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-11-4-6-14(7-5-11)19-16(20)8-15(17(19)21)18-9-12(2)22-13(3)10-18/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyACBVLPVZLAWWMT-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.74
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 3139865) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID3139865
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-11-4-6-14(7-5-11)19-16(20)8-15(17(19)21)18-9-12(2)22-13(3)10-18/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyACBVLPVZLAWWMT-UHFFFAOYSA-N
XLogP1.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 7784115
3-(2,6-dimethylmorpholin-4-yl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 2927932
(3S)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 100911154
ethyl 4-[(3S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1048448
(3S)-3-methyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 124672804
(3R)-1-(2,4-dibromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 1202052
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1022289
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
(3S)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 1230638

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 3139865) is 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ACBVLPVZLAWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-4-6-14(7-5-11)19-16(20)8-15(17(19)21)18-9-12(2)22-13(3)10-18/h4-7,12-13,15H,8-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 302.37 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3139865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).