3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione

C22H30N2O4 — CID 110551489

IUPAC3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCC(C)COc1ccc(C2=C(N3CCOCC3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C22H30N2O4/c1-15(2)13-24-21(25)19(20(22(24)26)23-9-11-27-12-10-23)17-5-7-18(8-6-17)28-14-16(3)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeySVPJVGCZRDCLCU-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.79
Rot. Bonds7

About 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione

3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110551489) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110551489
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCC(C)COc1ccc(C2=C(N3CCOCC3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C22H30N2O4/c1-15(2)13-24-21(25)19(20(22(24)26)23-9-11-27-12-10-23)17-5-7-18(8-6-17)28-14-16(3)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeySVPJVGCZRDCLCU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]-4-morpholin-4-yl-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110551013
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110551488
1-benzyl-3-(4-ethoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546476
3-(4-methylphenyl)-1-(2-methylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110572897
1-[(4-fluorophenyl)methyl]-3-[4-(2-methylpropoxy)phenyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551464
1-benzyl-3-(4-methylpiperazin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551129
3-(4-ethylpiperazin-1-yl)-4-[4-(2-methylpropoxy)phenyl]-1-pentylpyrrole-2,5-dione
CID 110551150
3-(4-ethylpiperazin-1-yl)-1-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575514
3-[4-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110551062
1-[(4-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551466
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methoxyethyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551320

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110551489) is 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione is CC(C)COc1ccc(C2=C(N3CCOCC3)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is SVPJVGCZRDCLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-15(2)13-24-21(25)19(20(22(24)26)23-9-11-27-12-10-23)17-5-7-18(8-6-17)28-14-16(3)4/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione?
3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 386.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110551489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).