5,5-dibenzyl-1,3-diazinan-2-one

C18H20N2O — CID 10978856

IUPAC5,5-dibenzyl-1,3-diazinan-2-one
SMILESO=C1NCC(Cc2ccccc2)(Cc2ccccc2)CN1
InChIInChI=1S/C18H20N2O/c21-17-19-13-18(14-20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,20,21)
InChIKeyBVJHKSDPCLQLGG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.77
Rot. Bonds4

About 5,5-dibenzyl-1,3-diazinan-2-one

5,5-dibenzyl-1,3-diazinan-2-one (PubChem CID 10978856) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5,5-dibenzyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5,5-dibenzyl-1,3-diazinan-2-one
PubChem CID10978856
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5,5-dibenzyl-1,3-diazinan-2-one
SMILESO=C1NCC(Cc2ccccc2)(Cc2ccccc2)CN1
InChIInChI=1S/C18H20N2O/c21-17-19-13-18(14-20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,20,21)
InChIKeyBVJHKSDPCLQLGG-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-1,3-diazinan-2-one?
The IUPAC name of 5,5-dibenzyl-1,3-diazinan-2-one (CID 10978856) is 5,5-dibenzyl-1,3-diazinan-2-one.
What is the SMILES notation for 5,5-dibenzyl-1,3-diazinan-2-one?
The canonical SMILES for 5,5-dibenzyl-1,3-diazinan-2-one is O=C1NCC(Cc2ccccc2)(Cc2ccccc2)CN1.
What is the InChIKey of 5,5-dibenzyl-1,3-diazinan-2-one?
The InChIKey is BVJHKSDPCLQLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-17-19-13-18(14-20-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,19,20,21).
What are the key properties of 5,5-dibenzyl-1,3-diazinan-2-one?
5,5-dibenzyl-1,3-diazinan-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-1,3-diazinan-2-one is sourced from PubChem (CID 10978856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).