1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione

C17H22N4O4 — CID 17455739

IUPAC1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione
SMILESCN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C17H22N4O4/c1-18(12-21-16(23)15(22)19(2)17(21)24)11-13-3-5-14(6-4-13)20-7-9-25-10-8-20/h3-6H,7-12H2,1-2H3
InChIKeyLLGNKGIVEDKDOE-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.33
Rot. Bonds5

About 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione

1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione (PubChem CID 17455739) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione
PubChem CID17455739
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione
SMILESCN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C17H22N4O4/c1-18(12-21-16(23)15(22)19(2)17(21)24)11-13-3-5-14(6-4-13)20-7-9-25-10-8-20/h3-6H,7-12H2,1-2H3
InChIKeyLLGNKGIVEDKDOE-UHFFFAOYSA-N
XLogP0.33
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione with MolForge

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Related Compounds

(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9296594
3-(4-chlorophenyl)-4-methyl-1-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazol-2-one
CID 56521608
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
4-(4-ethylphenyl)morpholine
CID 20576442
2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 22110197
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
5-[(4-methoxyphenyl)methyl]-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3,4-oxadiazole-2-thione
CID 27393618
1-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 9241351
N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31660346
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione (CID 17455739) is 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione is CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione?
The InChIKey is LLGNKGIVEDKDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-18(12-21-16(23)15(22)19(2)17(21)24)11-13-3-5-14(6-4-13)20-7-9-25-10-8-20/h3-6H,7-12H2,1-2H3.
What are the key properties of 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione?
1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione has a molecular weight of 346.39 g/mol, XLogP of 0.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 17455739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).