1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione

C22H17N3O5 — CID 139442949

IUPAC1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione
SMILESCOc1cc(-n2c(=O)[nH]c(=O)n(-c3ccccc3)c2=O)ccc1Oc1ccccc1
InChIInChI=1S/C22H17N3O5/c1-29-19-14-16(12-13-18(19)30-17-10-6-3-7-11-17)25-21(27)23-20(26)24(22(25)28)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,26,27)
InChIKeyYGXKWHYOUVMDLR-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.48
Rot. Bonds5

About 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione

1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 139442949) has the molecular formula C22H17N3O5 and a molecular weight of 403.39 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione
PubChem CID139442949
Molecular FormulaC22H17N3O5
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione
SMILESCOc1cc(-n2c(=O)[nH]c(=O)n(-c3ccccc3)c2=O)ccc1Oc1ccccc1
InChIInChI=1S/C22H17N3O5/c1-29-19-14-16(12-13-18(19)30-17-10-6-3-7-11-17)25-21(27)23-20(26)24(22(25)28)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,26,27)
InChIKeyYGXKWHYOUVMDLR-UHFFFAOYSA-N
XLogP2.48
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione (CID 139442949) is 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione is COc1cc(-n2c(=O)[nH]c(=O)n(-c3ccccc3)c2=O)ccc1Oc1ccccc1.
What is the InChIKey of 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YGXKWHYOUVMDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5/c1-29-19-14-16(12-13-18(19)30-17-10-6-3-7-11-17)25-21(27)23-20(26)24(22(25)28)15-8-4-2-5-9-15/h2-14H,1H3,(H,23,26,27).
What are the key properties of 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione?
1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 403.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139442949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).