1-(2-benzylphenyl)-1,3-diazinan-2-one

C17H18N2O — CID 115370897

IUPAC1-(2-benzylphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c20-17-18-11-6-12-19(17)16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,18,20)
InChIKeyJCUUHEXUJDVABH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.20
Rot. Bonds3

About 1-(2-benzylphenyl)-1,3-diazinan-2-one

1-(2-benzylphenyl)-1,3-diazinan-2-one (PubChem CID 115370897) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-benzylphenyl)-1,3-diazinan-2-one
PubChem CID115370897
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(2-benzylphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccccc1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c20-17-18-11-6-12-19(17)16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,18,20)
InChIKeyJCUUHEXUJDVABH-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-benzylphenyl)-1,3-diazinan-2-one (CID 115370897) is 1-(2-benzylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-benzylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-benzylphenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-1,3-diazinan-2-one?
The InChIKey is JCUUHEXUJDVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-18-11-6-12-19(17)16-10-5-4-9-15(16)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,18,20).
What are the key properties of 1-(2-benzylphenyl)-1,3-diazinan-2-one?
1-(2-benzylphenyl)-1,3-diazinan-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).