(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one

C24H22N2O2 — CID 101008767

IUPAC(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one
SMILESCN1C(=O)C[C@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-25-22(27)17-21(18-11-5-2-6-12-18)26(23(25)19-13-7-3-8-14-19)24(28)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3/t21-,23-/m1/s1
InChIKeyBJXRTYSRJWRPNA-FYYLOGMGSA-N
MW370.45 g/mol
LogP4.43
Rot. Bonds3

About (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one

(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one (PubChem CID 101008767) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one
PubChem CID101008767
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one
SMILESCN1C(=O)C[C@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-25-22(27)17-21(18-11-5-2-6-12-18)26(23(25)19-13-7-3-8-14-19)24(28)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3/t21-,23-/m1/s1
InChIKeyBJXRTYSRJWRPNA-FYYLOGMGSA-N
XLogP4.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
CID 101008763
[(2S,3R)-2-methyl-3-phenylaziridin-1-yl]-phenylmethanone
CID 12739484
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
CID 133083666
1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
CID 101438685
propan-2-yl (2R,6R)-1-benzoyl-4-benzoyloxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 139086804
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
1-methyl-6-phenylpiperidine-2,4-dione
CID 10035783
(1R,5R)-2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 124789510
2,6-dibenzoyl-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
CID 165341170
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
CID 126657946
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one?
The IUPAC name of (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one (CID 101008767) is (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one.
What is the SMILES notation for (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one?
The canonical SMILES for (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one is CN1C(=O)C[C@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one?
The InChIKey is BJXRTYSRJWRPNA-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-25-22(27)17-21(18-11-5-2-6-12-18)26(23(25)19-13-7-3-8-14-19)24(28)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3/t21-,23-/m1/s1.
What are the key properties of (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one?
(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one has a molecular weight of 370.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one is sourced from PubChem (CID 101008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).