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

C20H20N2O3 — CID 2187415

IUPAC1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyHSNSQMGDNFKEES-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.65
Rot. Bonds6

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

1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2187415) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID2187415
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyHSNSQMGDNFKEES-UHFFFAOYSA-N
XLogP2.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.65
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 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione (CID 2187415) is 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HSNSQMGDNFKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione?
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 336.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2187415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).