1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one

C18H20N2O2 — CID 140519579

IUPAC1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c21-18-19-11-4-12-20(18)17-9-7-16(8-10-17)14-22-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,19,21)
InChIKeyTZOLHYKPQXKHAS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.32
Rot. Bonds5

About 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one

1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 140519579) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one
PubChem CID140519579
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c21-18-19-11-4-12-20(18)17-9-7-16(8-10-17)14-22-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,19,21)
InChIKeyTZOLHYKPQXKHAS-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one (CID 140519579) is 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one is O=C1NCCCN1c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is TZOLHYKPQXKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18-19-11-4-12-20(18)17-9-7-16(8-10-17)14-22-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,19,21).
What are the key properties of 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one?
1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenylmethoxymethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 140519579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).