(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one

C20H24N2O2 — CID 101209097

IUPAC(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
SMILESO=C1N[C@H](CCc2ccccc2)C(O)[C@@H](CCc2ccccc2)N1
InChIInChI=1S/C20H24N2O2/c23-19-17(13-11-15-7-3-1-4-8-15)21-20(24)22-18(19)14-12-16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2,(H2,21,22,24)/t17-,18-/m1/s1
InChIKeyQYHOJXPFYLNEMB-QZTJIDSGSA-N
MW324.42 g/mol
LogP2.66
Rot. Bonds6

About (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one

(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one (PubChem CID 101209097) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
PubChem CID101209097
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
SMILESO=C1N[C@H](CCc2ccccc2)C(O)[C@@H](CCc2ccccc2)N1
InChIInChI=1S/C20H24N2O2/c23-19-17(13-11-15-7-3-1-4-8-15)21-20(24)22-18(19)14-12-16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2,(H2,21,22,24)/t17-,18-/m1/s1
InChIKeyQYHOJXPFYLNEMB-QZTJIDSGSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dibenzyl-5-hydroxy-1,3-diazinan-2-one
CID 22088981
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209098
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 70987709
(2S,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 124505625
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
(4,7-dibenzyl-6-hydroxy-2-oxo-1,3-diazepan-5-yl) acetate
CID 22089000
(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
CID 59132187
(1S,7R,8S,12S)-8,12-dibenzyl-2,4,6-trioxa-9,11-diazabicyclo[5.5.0]dodecan-10-one
CID 22857227
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
4-[[2,3-dihydroxy-6-(hydroxymethyl)-4-(2-phenylethyl)cyclohexyl]methyl]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 59939251
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one (CID 101209097) is (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one is O=C1N[C@H](CCc2ccccc2)C(O)[C@@H](CCc2ccccc2)N1.
What is the InChIKey of (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is QYHOJXPFYLNEMB-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19-17(13-11-15-7-3-1-4-8-15)21-20(24)22-18(19)14-12-16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2,(H2,21,22,24)/t17-,18-/m1/s1.
What are the key properties of (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 101209097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).