N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide

C21H24FN3O3 — CID 75119452

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide
SMILESCc1ccc(C2CC(=O)N(CC(=O)NCCOc3ccc(F)cc3)CN2)cc1
InChIInChI=1S/C21H24FN3O3/c1-15-2-4-16(5-3-15)19-12-21(27)25(14-24-19)13-20(26)23-10-11-28-18-8-6-17(22)7-9-18/h2-9,19,24H,10-14H2,1H3,(H,23,26)
InChIKeyKCYLXYNDJRTUAF-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide

N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide (PubChem CID 75119452) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide
PubChem CID75119452
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide
SMILESCc1ccc(C2CC(=O)N(CC(=O)NCCOc3ccc(F)cc3)CN2)cc1
InChIInChI=1S/C21H24FN3O3/c1-15-2-4-16(5-3-15)19-12-21(27)25(14-24-19)13-20(26)23-10-11-28-18-8-6-17(22)7-9-18/h2-9,19,24H,10-14H2,1H3,(H,23,26)
InChIKeyKCYLXYNDJRTUAF-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 75119447
2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide
CID 75119623
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 60506751
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32643845
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9425239
2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42949836
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9365896

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide (CID 75119452) is N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide is Cc1ccc(C2CC(=O)N(CC(=O)NCCOc3ccc(F)cc3)CN2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide?
The InChIKey is KCYLXYNDJRTUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-15-2-4-16(5-3-15)19-12-21(27)25(14-24-19)13-20(26)23-10-11-28-18-8-6-17(22)7-9-18/h2-9,19,24H,10-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide?
N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide has a molecular weight of 385.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide is sourced from PubChem (CID 75119452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).