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

C27H30N2O2 — CID 101209098

IUPAC(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
SMILESO=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@@H](CCc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C27H30N2O2/c30-26-24(18-16-21-10-4-1-5-11-21)28-27(31)29(20-23-14-8-3-9-15-23)25(26)19-17-22-12-6-2-7-13-22/h1-15,24-26,30H,16-20H2,(H,28,31)/t24-,25-,26-/m1/s1
InChIKeyOJTUQIAWPGIQLB-TWJOJJKGSA-N
MW414.55 g/mol
LogP4.58
Rot. Bonds8

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

(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one (PubChem CID 101209098) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
PubChem CID101209098
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
SMILESO=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@@H](CCc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C27H30N2O2/c30-26-24(18-16-21-10-4-1-5-11-21)28-27(31)29(20-23-14-8-3-9-15-23)25(26)19-17-22-12-6-2-7-13-22/h1-15,24-26,30H,16-20H2,(H,28,31)/t24-,25-,26-/m1/s1
InChIKeyOJTUQIAWPGIQLB-TWJOJJKGSA-N
XLogP4.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
CID 24787335
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 70987709
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
CID 10559556
(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
CID 73324816
1-[(5-aminocyclohepta-1,3,5-trien-1-yl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
CID 142101560
(3aR,6aR)-4-benzyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 99646895
3-[[(4R,5R,6R)-6-benzyl-3-(cyclopropylmethyl)-5-hydroxy-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 5327563
1-benzyl-3-benzylimino-5-(2-phenylethyl)-4-trimethylsilylpyrrolidin-2-one
CID 10389271
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901
(2S,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 124505625

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one (CID 101209098) is (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one is O=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@@H](CCc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is OJTUQIAWPGIQLB-TWJOJJKGSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-26-24(18-16-21-10-4-1-5-11-21)28-27(31)29(20-23-14-8-3-9-15-23)25(26)19-17-22-12-6-2-7-13-22/h1-15,24-26,30H,16-20H2,(H,28,31)/t24-,25-,26-/m1/s1.
What are the key properties of (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one?
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one has a molecular weight of 414.55 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 101209098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).