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

C24H24N2O — CID 59057333

IUPAC1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
SMILESO=C1N(Cc2ccccc2)CC(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-24-25(16-20-10-4-1-5-11-20)18-23(22-14-8-3-9-15-22)19-26(24)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyRUYRWTSXUKGLNP-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.91
Rot. Bonds5

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

1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one (PubChem CID 59057333) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
PubChem CID59057333
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
SMILESO=C1N(Cc2ccccc2)CC(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C24H24N2O/c27-24-25(16-20-10-4-1-5-11-20)18-23(22-14-8-3-9-15-22)19-26(24)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKeyRUYRWTSXUKGLNP-UHFFFAOYSA-N
XLogP4.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzoyl-5-phenyl-1,3-diazinan-2-one;1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one;ethane
CID 158379390
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(4S)-1-benzyl-4-phenylimidazolidin-2-one
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(6R)-4-benzyl-2-hydroxy-6-phenylmorpholin-3-one
CID 101359131
1-benzyl-3-(benzylamino)azetidin-2-one
CID 86116144
(3E)-1-benzyl-3-benzylidene-4-phenylpyrrolidin-2-one
CID 10521059
2-benzyl-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzoxazin-1-one
CID 22752709
(4aS,7aS)-1,3-dibenzyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-2-one
CID 102209940
(3S,4S)-1,3-dibenzyl-4-phenyl-3-phenylselanylpyrrolidin-2-one
CID 10323551
(3S,4R)-1-benzyl-3-chloro-4-(dichloromethyl)-3-methylpyrrolidin-2-one
CID 100987589
(3R,4R)-1-benzyl-3-chloro-4-(dichloromethyl)-3-methylpyrrolidin-2-one
CID 100987586
3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one?
The IUPAC name of 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one (CID 59057333) is 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one?
The canonical SMILES for 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one is O=C1N(Cc2ccccc2)CC(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one?
The InChIKey is RUYRWTSXUKGLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24-25(16-20-10-4-1-5-11-20)18-23(22-14-8-3-9-15-22)19-26(24)17-21-12-6-2-7-13-21/h1-15,23H,16-19H2.
What are the key properties of 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one?
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one has a molecular weight of 356.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 59057333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).