4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one

C18H20N2O2 — CID 22088981

IUPAC4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
SMILESO=C1NC(Cc2ccccc2)C(O)C(Cc2ccccc2)N1
InChIInChI=1S/C18H20N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)20-16(17)12-14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H2,19,20,22)
InChIKeyCMNDRGWYZFNWCC-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.88
Rot. Bonds4

About 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one

4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one (PubChem CID 22088981) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one.

Molecular Properties

Compound Name4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
PubChem CID22088981
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
SMILESO=C1NC(Cc2ccccc2)C(O)C(Cc2ccccc2)N1
InChIInChI=1S/C18H20N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)20-16(17)12-14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H2,19,20,22)
InChIKeyCMNDRGWYZFNWCC-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
(4,7-dibenzyl-6-hydroxy-2-oxo-1,3-diazepan-5-yl) acetate
CID 22089000
(1S,7R,8S,12S)-8,12-dibenzyl-2,4,6-trioxa-9,11-diazabicyclo[5.5.0]dodecan-10-one
CID 22857227
4,7-dibenzyl-5-(hydroxymethyl)-6-methoxy-1,3-diazepan-2-one
CID 22088999
5-benzyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 177460730
(4S)-4-benzyl-5-hydroxy-1-phenylimidazolidin-2-one
CID 102382983
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(3aS,4R,8R,8aS)-4,8-dibenzyl-2-ethoxy-2-methyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 10810758
4-benzyl-3-ethylazetidin-2-one
CID 85185683
3-benzyl-1,4-oxazepan-2-ol
CID 173091475
(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
CID 155214736

Frequently Asked Questions

What is the IUPAC name of 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one?
The IUPAC name of 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one (CID 22088981) is 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one.
What is the SMILES notation for 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one?
The canonical SMILES for 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one is O=C1NC(Cc2ccccc2)C(O)C(Cc2ccccc2)N1.
What is the InChIKey of 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one?
The InChIKey is CMNDRGWYZFNWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)20-16(17)12-14-9-5-2-6-10-14/h1-10,15-17,21H,11-12H2,(H2,19,20,22).
What are the key properties of 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one?
4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one is sourced from PubChem (CID 22088981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).