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

C16H16N2O2 — CID 115370899

IUPAC1-(2-phenoxyphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16-17-11-6-12-18(16)14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,17,19)
InChIKeyIACFMBHTXYYZDF-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.40
Rot. Bonds3

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

1-(2-phenoxyphenyl)-1,3-diazinan-2-one (PubChem CID 115370899) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)-1,3-diazinan-2-one
PubChem CID115370899
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(2-phenoxyphenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccccc1Oc1ccccc1
InChIInChI=1S/C16H16N2O2/c19-16-17-11-6-12-18(16)14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,17,19)
InChIKeyIACFMBHTXYYZDF-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenoxyphenyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(2-phenoxyphenyl)-1,3-diazinan-2-one (CID 115370899) is 1-(2-phenoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(2-phenoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(2-phenoxyphenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is IACFMBHTXYYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16-17-11-6-12-18(16)14-9-4-5-10-15(14)20-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,17,19).
What are the key properties of 1-(2-phenoxyphenyl)-1,3-diazinan-2-one?
1-(2-phenoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 268.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).