1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione

C22H20N2O5 — CID 1381160

IUPAC1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C22H20N2O5/c1-3-22(4-2)19(27)23(17(25)15-11-7-5-8-12-15)21(29)24(20(22)28)18(26)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyLIXBKNSBPHNDKL-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.26
Rot. Bonds4

About 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione

1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 1381160) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID1381160
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C22H20N2O5/c1-3-22(4-2)19(27)23(17(25)15-11-7-5-8-12-15)21(29)24(20(22)28)18(26)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyLIXBKNSBPHNDKL-UHFFFAOYSA-N
XLogP3.26
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 1381160) is 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)N(C(=O)c2ccccc2)C(=O)N(C(=O)c2ccccc2)C1=O.
What is the InChIKey of 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LIXBKNSBPHNDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-3-22(4-2)19(27)23(17(25)15-11-7-5-8-12-15)21(29)24(20(22)28)18(26)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 392.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzoyl-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1381160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).