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

C15H17N3O3 — CID 7461089

IUPAC5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCc1ccccc1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H17N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H2,17,18,19,20,21)/b16-11+
InChIKeyJZBGWKNFGZPXLV-LFIBNONCSA-N
MW287.32 g/mol
LogP1.06
Rot. Bonds5

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

5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461089) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461089
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCc1ccccc1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H17N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H2,17,18,19,20,21)/b16-11+
InChIKeyJZBGWKNFGZPXLV-LFIBNONCSA-N
XLogP1.06
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
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-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7461320
1,3-diethyl-2-(2-phenylethyl)guanidine
CID 110913976
N'-(3-phenylpropyl)propanimidamide
CID 62049417
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
1-(4-chlorophenyl)-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812265
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 4270289
methyl 3-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 135459022
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide
CID 66914825
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
CID 173065239
(5S)-1-butyl-5-[N-[2-(cyclohexen-1-yl)ethyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7462064
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873

Frequently Asked Questions

What is the IUPAC name of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461089) is 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is CC/C(=N\CCc1ccccc1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is JZBGWKNFGZPXLV-LFIBNONCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-11(12-13(19)17-15(21)18-14(12)20)16-9-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H2,17,18,19,20,21)/b16-11+.
What are the key properties of 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 287.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).