5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one

C23H25F3N2O5 — CID 18866993

IUPAC5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCCOc1ccc(C2C(C(=O)c3ccccc3)C(O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC
InChIInChI=1S/C23H25F3N2O5/c1-5-33-16-12-11-15(13-17(16)32-4)19-18(20(29)14-9-7-6-8-10-14)22(31,23(24,25)26)28(3)21(30)27(19)2/h6-13,18-19,31H,5H2,1-4H3
InChIKeyKKJPKGZDECDAHS-UHFFFAOYSA-N
MW466.46 g/mol
LogP3.88
Rot. Bonds6

About 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one

5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one (PubChem CID 18866993) has the molecular formula C23H25F3N2O5 and a molecular weight of 466.46 g/mol. Its IUPAC name is 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one
PubChem CID18866993
Molecular FormulaC23H25F3N2O5
Molecular Weight466.46 g/mol
Exact Mass466.17
IUPAC Name5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILESCCOc1ccc(C2C(C(=O)c3ccccc3)C(O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC
InChIInChI=1S/C23H25F3N2O5/c1-5-33-16-12-11-15(13-17(16)32-4)19-18(20(29)14-9-7-6-8-10-14)22(31,23(24,25)26)28(3)21(30)27(19)2/h6-13,18-19,31H,5H2,1-4H3
InChIKeyKKJPKGZDECDAHS-UHFFFAOYSA-N
XLogP3.88
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorobenzoyl)-6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 2911939
4-hydroxy-6-(4-methoxyphenyl)-5-(4-methylbenzoyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 2918303
5-(4-chlorobenzoyl)-4-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3147456
[1-(1,3-dihydroxypropan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 145974832
6-(3-Ethoxy-4-hydroxy-phenyl)-4-hydroxy-5-(4-methoxy-benzoyl)-4-trifluoromethyl-tetrahydro-pyrimidin-2-one
CID 651771
5-(4-Fluorobenzoyl)tetrahydro-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2(1H)-pyrimidinone
CID 660342
6-(3,4-dimethoxyphenyl)-4-hydroxy-5-(phenylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 4081553
[1-(3-Ethoxy-4-hydroxybenzyl)piperidin-3-yl][3-(trifluoromethyl)phenyl]methanone
CID 16189520
5-benzoyl-6-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 2920844
5-benzoyl-4-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)-6-hydroxy-1-methyl-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3617504
6-(benzo[d][1,3]dioxol-5-yl)-5-benzoyl-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 2918386
5-acetyl-6-(4-(benzyloxy)-3-methoxyphenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 4079286

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one (CID 18866993) is 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one is CCOc1ccc(C2C(C(=O)c3ccccc3)C(O)(C(F)(F)F)N(C)C(=O)N2C)cc1OC.
What is the InChIKey of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
The InChIKey is KKJPKGZDECDAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O5/c1-5-33-16-12-11-15(13-17(16)32-4)19-18(20(29)14-9-7-6-8-10-14)22(31,23(24,25)26)28(3)21(30)27(19)2/h6-13,18-19,31H,5H2,1-4H3.
What are the key properties of 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one?
5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one has a molecular weight of 466.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1,3-dimethyl-4-(trifluoromethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 18866993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).