5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione

C20H19N3O3 — CID 7461320

IUPAC5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCc1ccccc1)C1C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H19N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeyVJPAPCKXOMGJPP-KGENOOAVSA-N
MW349.39 g/mol
LogP2.59
Rot. Bonds5

About 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione

5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 7461320) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID7461320
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCc1ccccc1)C1C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H19N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,22,24,26)/b21-14+
InChIKeyVJPAPCKXOMGJPP-KGENOOAVSA-N
XLogP2.59
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[N-[3-[(2R)-2-ethylhexoxy]propyl]-C-methylcarbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7369778
1-(4-chlorophenyl)-5-[N-[2-(dimethylamino)ethyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461560
3-[1-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethylideneamino]propyl-dimethylazanium
CID 7461690
1-(4-chlorophenyl)-5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461677
(5S)-1-(2-methylphenyl)-5-[C-methyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7506316
(5R)-1-(2-methylphenyl)-5-[C-methyl-N-[(1R)-1-phenylethyl]carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7462003
5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461089
1-(4-methoxyphenyl)-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461769
5-[C-ethyl-N-(3-piperidin-1-ylpropyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7474354
(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 871927
1-(4-chlorophenyl)-5-[C-ethyl-N-[(1R)-1-phenylethyl]carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7506254
1-benzyl-5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7474555

Frequently Asked Questions

What is the IUPAC name of 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione (CID 7461320) is 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione is C/C(=N\CCc1ccccc1)C1C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VJPAPCKXOMGJPP-KGENOOAVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(21-13-12-15-8-4-2-5-9-15)17-18(24)22-20(26)23(19(17)25)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,22,24,26)/b21-14+.
What are the key properties of 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 349.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).