1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one

C19H22N2O — CID 59057342

IUPAC1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one
SMILESCc1ccc(C2CNC(=O)N(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C19H22N2O/c1-14-8-9-17(10-15(14)2)18-11-20-19(22)21(13-18)12-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,20,22)
InChIKeyOVXWERIPAABQNW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.61
Rot. Bonds3

About 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one

1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one (PubChem CID 59057342) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one
PubChem CID59057342
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one
SMILESCc1ccc(C2CNC(=O)N(Cc3ccccc3)C2)cc1C
InChIInChI=1S/C19H22N2O/c1-14-8-9-17(10-15(14)2)18-11-20-19(22)21(13-18)12-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,20,22)
InChIKeyOVXWERIPAABQNW-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one (CID 59057342) is 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one is Cc1ccc(C2CNC(=O)N(Cc3ccccc3)C2)cc1C.
What is the InChIKey of 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one?
The InChIKey is OVXWERIPAABQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-8-9-17(10-15(14)2)18-11-20-19(22)21(13-18)12-16-6-4-3-5-7-16/h3-10,18H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one?
1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3,4-dimethylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 59057342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).