5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione

C15H19N3O3 — CID 69342956

IUPAC5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-15(2)13(19)18(14(20)16-15)12-5-3-11(4-6-12)17-7-9-21-10-8-17/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKeyXJULTLQAPVFVJN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.36
Rot. Bonds2

About 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione (PubChem CID 69342956) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione
PubChem CID69342956
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-15(2)13(19)18(14(20)16-15)12-5-3-11(4-6-12)17-7-9-21-10-8-17/h3-6H,7-10H2,1-2H3,(H,16,20)
InChIKeyXJULTLQAPVFVJN-UHFFFAOYSA-N
XLogP1.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
(5S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7348475
7-methyl-2-(4-morpholin-4-ylphenyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
CID 2858662
4-[4-(4,4-dimethylimidazolidin-1-yl)phenyl]morpholine
CID 90705662
3-(3-hydroxy-4-methylphenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 143951007
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
CID 64970576
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione (CID 69342956) is 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is XJULTLQAPVFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2)13(19)18(14(20)16-15)12-5-3-11(4-6-12)17-7-9-21-10-8-17/h3-6H,7-10H2,1-2H3,(H,16,20).
What are the key properties of 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69342956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).