5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione

C19H18N2O5 — CID 2921452

IUPAC5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C19H18N2O5/c1-25-14-9-8-12(16(11-14)26-2)10-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h3-9,11,15H,10H2,1-2H3,(H,20,22,24)
InChIKeyIGZSZQWMLQSWMK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.15
Rot. Bonds5

About 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione

5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2921452) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID2921452
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C19H18N2O5/c1-25-14-9-8-12(16(11-14)26-2)10-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h3-9,11,15H,10H2,1-2H3,(H,20,22,24)
InChIKeyIGZSZQWMLQSWMK-UHFFFAOYSA-N
XLogP2.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione (CID 2921452) is 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione is COc1ccc(CC2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IGZSZQWMLQSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-14-9-8-12(16(11-14)26-2)10-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h3-9,11,15H,10H2,1-2H3,(H,20,22,24).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione?
5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 354.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl]-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2921452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).