5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C20H19N3O3 — CID 6983496

IUPAC5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C(=N/Cc2ccccc2)c2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C20H19N3O3/c1-22-18(24)16(19(25)23(2)20(22)26)17(15-11-7-4-8-12-15)21-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/b21-17+
InChIKeyOWLIEMYNLWEVMX-HEHNFIMWSA-N
MW349.39 g/mol
LogP2.34
Rot. Bonds4

About 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 6983496) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID6983496
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C(=N/Cc2ccccc2)c2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C20H19N3O3/c1-22-18(24)16(19(25)23(2)20(22)26)17(15-11-7-4-8-12-15)21-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/b21-17+
InChIKeyOWLIEMYNLWEVMX-HEHNFIMWSA-N
XLogP2.34
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
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

[(4R)-4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-phenylmethylidene]amino]pentyl]-diethylazanium
CID 7336422
1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
CID 102461648
1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
CID 12954845
(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 124528060
N-benzyl-1-phenylpentan-1-imine
CID 20688068
1-benzyl-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 86189185
(3S,5R)-3-(N-benzyl-C-methylcarbonimidoyl)-5-methyloxolane-2,4-dione
CID 7307944
7-benzyl-1,3-dimethyl-2,4-dioxo-N-phenacyl-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide
CID 74782480
1,3-dimethyl-5-propanoyl-1,3-diazinane-2,4,6-trione
CID 74684234
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
benzyliminotungsten
CID 21354480
5-[1-(4-chlorophenyl)-1,4-dioxo-4-phenylbutan-2-yl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 24882235

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 6983496) is 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C(=N/Cc2ccccc2)c2ccccc2)C(=O)N(C)C1=O.
What is the InChIKey of 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OWLIEMYNLWEVMX-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-22-18(24)16(19(25)23(2)20(22)26)17(15-11-7-4-8-12-15)21-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/b21-17+.
What are the key properties of 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 349.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzyl-C-phenylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6983496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).