(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one

C18H18N2O2 — CID 101008763

IUPAC(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
SMILESCN1C(=O)CCN(C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19-16(21)12-13-20(17(19)14-8-4-2-5-9-14)18(22)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1
InChIKeyHNUABBFRRJXYOU-KRWDZBQOSA-N
MW294.35 g/mol
LogP2.69
Rot. Bonds2

About (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one

(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one (PubChem CID 101008763) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
PubChem CID101008763
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one
SMILESCN1C(=O)CCN(C(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-19-16(21)12-13-20(17(19)14-8-4-2-5-9-14)18(22)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1
InChIKeyHNUABBFRRJXYOU-KRWDZBQOSA-N
XLogP2.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R)-1-benzoyl-3-methyl-2,6-diphenyl-1,3-diazinan-4-one
CID 101008767
1-benzoyl-2-phenylpyrrolidin-3-one
CID 571274
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2S)-3-methyl-1-(4-phenoxybutanoyl)-2-phenylimidazolidin-4-one
CID 99791305
(2S)-1-benzoyl-4-oxopiperidine-2-carboxylic acid
CID 14314235
1-benzoyl-2-tert-butylpiperidin-4-one
CID 131871850
(2R)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 99801968
(2S)-3-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-2-phenylimidazolidine-1-carboxamide
CID 99801967
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
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
(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
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one?
The IUPAC name of (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one (CID 101008763) is (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one.
What is the SMILES notation for (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one?
The canonical SMILES for (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one is CN1C(=O)CCN(C(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one?
The InChIKey is HNUABBFRRJXYOU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19-16(21)12-13-20(17(19)14-8-4-2-5-9-14)18(22)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one?
(2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one has a molecular weight of 294.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-3-methyl-2-phenyl-1,3-diazinan-4-one is sourced from PubChem (CID 101008763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).