1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C19H18N2O5 — CID 42636180

IUPAC1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCON1C(=O)N(OC)C(=O)C(c2ccccc2)(c2ccccc2C)C1=O
InChIInChI=1S/C19H18N2O5/c1-13-9-7-8-12-15(13)19(14-10-5-4-6-11-14)16(22)20(25-2)18(24)21(26-3)17(19)23/h4-12H,1-3H3
InChIKeyZFEFVTOKOXICJY-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.19
Rot. Bonds4

About 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione

1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 42636180) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID42636180
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCON1C(=O)N(OC)C(=O)C(c2ccccc2)(c2ccccc2C)C1=O
InChIInChI=1S/C19H18N2O5/c1-13-9-7-8-12-15(13)19(14-10-5-4-6-11-14)16(22)20(25-2)18(24)21(26-3)17(19)23/h4-12H,1-3H3
InChIKeyZFEFVTOKOXICJY-UHFFFAOYSA-N
XLogP2.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 42636180) is 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione is CON1C(=O)N(OC)C(=O)C(c2ccccc2)(c2ccccc2C)C1=O.
What is the InChIKey of 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZFEFVTOKOXICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-13-9-7-8-12-15(13)19(14-10-5-4-6-11-14)16(22)20(25-2)18(24)21(26-3)17(19)23/h4-12H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 354.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-methylphenyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 42636180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).