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

C25H22N2O3 — CID 144582870

IUPAC5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(CN2C(=O)C(Cc3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-18-12-14-20(15-13-18)17-26-23(28)22(16-19-8-4-2-5-9-19)24(29)27(25(26)30)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKeyNZQNRFYKEWAFPB-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.35
Rot. Bonds5

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

5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 144582870) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID144582870
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(CN2C(=O)C(Cc3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H22N2O3/c1-18-12-14-20(15-13-18)17-26-23(28)22(16-19-8-4-2-5-9-19)24(29)27(25(26)30)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3
InChIKeyNZQNRFYKEWAFPB-UHFFFAOYSA-N
XLogP4.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione (CID 144582870) is 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione is Cc1ccc(CN2C(=O)C(Cc3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NZQNRFYKEWAFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-18-12-14-20(15-13-18)17-26-23(28)22(16-19-8-4-2-5-9-19)24(29)27(25(26)30)21-10-6-3-7-11-21/h2-15,22H,16-17H2,1H3.
What are the key properties of 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione?
5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 398.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144582870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).