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

C25H22N2O5 — CID 4309713

IUPAC5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C25H22N2O5/c1-31-20-14-13-17(22(16-20)32-2)15-21-23(28)26(18-9-5-3-6-10-18)25(30)27(24(21)29)19-11-7-4-8-12-19/h3-14,16,21H,15H2,1-2H3
InChIKeyYBKNAMXBDJQKEM-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.06
Rot. Bonds6

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

5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 4309713) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID4309713
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OC)c1
InChIInChI=1S/C25H22N2O5/c1-31-20-14-13-17(22(16-20)32-2)15-21-23(28)26(18-9-5-3-6-10-18)25(30)27(24(21)29)19-11-7-4-8-12-19/h3-14,16,21H,15H2,1-2H3
InChIKeyYBKNAMXBDJQKEM-UHFFFAOYSA-N
XLogP4.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.06
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 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 4309713) is 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione is COc1ccc(CC2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YBKNAMXBDJQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-31-20-14-13-17(22(16-20)32-2)15-21-23(28)26(18-9-5-3-6-10-18)25(30)27(24(21)29)19-11-7-4-8-12-19/h3-14,16,21H,15H2,1-2H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 430.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methyl]-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 4309713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).