1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C19H24N4O5 — CID 7461769

IUPAC1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(N2C(=O)NC(=O)C(/C(C)=N/CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H24N4O5/c1-13(20-7-8-22-9-11-28-12-10-22)16-17(24)21-19(26)23(18(16)25)14-3-5-15(27-2)6-4-14/h3-6,16H,7-12H2,1-2H3,(H,21,24,26)/b20-13+
InChIKeyTVJQTQIVIRXTLY-DEDYPNTBSA-N
MW388.42 g/mol
LogP0.69
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461769) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461769
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(N2C(=O)NC(=O)C(/C(C)=N/CCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H24N4O5/c1-13(20-7-8-22-9-11-28-12-10-22)16-17(24)21-19(26)23(18(16)25)14-3-5-15(27-2)6-4-14/h3-6,16H,7-12H2,1-2H3,(H,21,24,26)/b20-13+
InChIKeyTVJQTQIVIRXTLY-DEDYPNTBSA-N
XLogP0.69
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-(4-methoxyphenyl)-5-methyl-4-[C-methyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-4H-pyrazol-3-one
CID 11905015
(5S)-1-(4-methoxyphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7368076
5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7461320
5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 7461811
3-[1-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethylideneamino]propyl-dimethylazanium
CID 7461690
4-[4-(2-morpholin-4-ylethoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;hydrochloride
CID 3053382
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
1-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111036224
4-[(E)-3-(4-methoxyphenyl)but-2-enyl]morpholine;hydrochloride
CID 57390385
(4S)-2-(4-methoxyphenyl)-4-(3-morpholin-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione
CID 7639680
1-(4-methoxyphenyl)-3-methyl-4-(3-morpholin-4-ylpropanoyl)piperazin-2-one
CID 70744346
1-ethyl-3-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972329

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461769) is 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is COc1ccc(N2C(=O)NC(=O)C(/C(C)=N/CCN3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is TVJQTQIVIRXTLY-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-13(20-7-8-22-9-11-28-12-10-22)16-17(24)21-19(26)23(18(16)25)14-3-5-15(27-2)6-4-14/h3-6,16H,7-12H2,1-2H3,(H,21,24,26)/b20-13+.
What are the key properties of 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 388.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).