1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione

C19H18N2O3 — CID 21307390

IUPAC1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(Cc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-17-13-18(23)21(14-16-9-5-2-6-10-16)19(24)20(17)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyGLXHJULVTWQYBN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.61
Rot. Bonds5

About 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione

1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 21307390) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID21307390
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(Cc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-17-13-18(23)21(14-16-9-5-2-6-10-16)19(24)20(17)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyGLXHJULVTWQYBN-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.61
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 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione (CID 21307390) is 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(Cc2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GLXHJULVTWQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17-13-18(23)21(14-16-9-5-2-6-10-16)19(24)20(17)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2.
What are the key properties of 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 322.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21307390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).