1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

C17H20N2O3 — CID 13221120

IUPAC1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H20N2O3/c1-18-15(20)14(12-8-4-2-5-9-12)16(21)19(17(18)22)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3
InChIKeyZXPJUCPBOVFJOH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.52
Rot. Bonds2

About 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 13221120) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID13221120
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H20N2O3/c1-18-15(20)14(12-8-4-2-5-9-12)16(21)19(17(18)22)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3
InChIKeyZXPJUCPBOVFJOH-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.52
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-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 13221120) is 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZXPJUCPBOVFJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-18-15(20)14(12-8-4-2-5-9-12)16(21)19(17(18)22)13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 300.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13221120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).