1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione

C23H19N3O5 — CID 139434096

IUPAC1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(C)c3)c2=O)c1
InChIInChI=1S/C23H19N3O5/c1-15-13-17(11-12-20(15)31-18-8-4-3-5-9-18)26-22(28)24-21(27)25(23(26)29)16-7-6-10-19(14-16)30-2/h3-14H,1-2H3,(H,24,27,28)
InChIKeyBVUPLQXVNCAYNU-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione

1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139434096) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139434096
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(C)c3)c2=O)c1
InChIInChI=1S/C23H19N3O5/c1-15-13-17(11-12-20(15)31-18-8-4-3-5-9-18)26-22(28)24-21(27)25(23(26)29)16-7-6-10-19(14-16)30-2/h3-14H,1-2H3,(H,24,27,28)
InChIKeyBVUPLQXVNCAYNU-UHFFFAOYSA-N
XLogP2.79
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione (CID 139434096) is 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione is COc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(C)c3)c2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is BVUPLQXVNCAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-15-13-17(11-12-20(15)31-18-8-4-3-5-9-18)26-22(28)24-21(27)25(23(26)29)16-7-6-10-19(14-16)30-2/h3-14H,1-2H3,(H,24,27,28).
What are the key properties of 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 417.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139434096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).