1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione

C18H16N2O4 — CID 161316865

IUPAC1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCON1C(=O)N(C)C(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O4/c1-19-15(21)18(13-9-5-3-6-10-13,14-11-7-4-8-12-14)16(22)20(24-2)17(19)23/h3-12H,1-2H3
InChIKeyVJPNMXADPWMGNX-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.95
Rot. Bonds3

About 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione

1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 161316865) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID161316865
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCON1C(=O)N(C)C(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O4/c1-19-15(21)18(13-9-5-3-6-10-13,14-11-7-4-8-12-14)16(22)20(24-2)17(19)23/h3-12H,1-2H3
InChIKeyVJPNMXADPWMGNX-UHFFFAOYSA-N
XLogP1.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione (CID 161316865) is 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione is CON1C(=O)N(C)C(=O)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VJPNMXADPWMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-19-15(21)18(13-9-5-3-6-10-13,14-11-7-4-8-12-14)16(22)20(24-2)17(19)23/h3-12H,1-2H3.
What are the key properties of 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione?
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 324.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 161316865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).