1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione

C18H22N2O3 — CID 52937764

IUPAC1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCCCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-16-13-17(22)20(15-9-5-2-6-10-15)18(23)19(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeySYWFZQZDGNFPAU-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione

1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 52937764) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID52937764
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCCCC2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H22N2O3/c21-16-13-17(22)20(15-9-5-2-6-10-15)18(23)19(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeySYWFZQZDGNFPAU-UHFFFAOYSA-N
XLogP2.74
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (CID 52937764) is 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C2CCCCC2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is SYWFZQZDGNFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-13-17(22)20(15-9-5-2-6-10-15)18(23)19(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2.
What are the key properties of 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 314.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 52937764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).