5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

C16H19F3N2O2 — CID 73324828

IUPAC5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESCCN1C(=O)NC(c2cccc(C(F)(F)F)c2)C(C(C)=O)C1C
InChIInChI=1S/C16H19F3N2O2/c1-4-21-9(2)13(10(3)22)14(20-15(21)23)11-6-5-7-12(8-11)16(17,18)19/h5-9,13-14H,4H2,1-3H3,(H,20,23)
InChIKeyUWYHPPPRCNNKPS-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.39
Rot. Bonds3

About 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one

5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (PubChem CID 73324828) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
PubChem CID73324828
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
SMILESCCN1C(=O)NC(c2cccc(C(F)(F)F)c2)C(C(C)=O)C1C
InChIInChI=1S/C16H19F3N2O2/c1-4-21-9(2)13(10(3)22)14(20-15(21)23)11-6-5-7-12(8-11)16(17,18)19/h5-9,13-14H,4H2,1-3H3,(H,20,23)
InChIKeyUWYHPPPRCNNKPS-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The IUPAC name of 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one (CID 73324828) is 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is CCN1C(=O)NC(c2cccc(C(F)(F)F)c2)C(C(C)=O)C1C.
What is the InChIKey of 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
The InChIKey is UWYHPPPRCNNKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-4-21-9(2)13(10(3)22)14(20-15(21)23)11-6-5-7-12(8-11)16(17,18)19/h5-9,13-14H,4H2,1-3H3,(H,20,23).
What are the key properties of 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one?
5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one has a molecular weight of 328.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 73324828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).