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

C22H27N3O4 — CID 75119447

IUPAC2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)NCCOc3ccc(C)cc3)CN2)cc1
InChIInChI=1S/C22H27N3O4/c1-16-3-7-19(8-4-16)29-12-11-23-21(26)14-25-15-24-20(13-22(25)27)17-5-9-18(28-2)10-6-17/h3-10,20,24H,11-15H2,1-2H3,(H,23,26)
InChIKeyYYIBZKMIYJXTCV-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.02
Rot. Bonds8

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

2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 75119447) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID75119447
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)NCCOc3ccc(C)cc3)CN2)cc1
InChIInChI=1S/C22H27N3O4/c1-16-3-7-19(8-4-16)29-12-11-23-21(26)14-25-15-24-20(13-22(25)27)17-5-9-18(28-2)10-6-17/h3-10,20,24H,11-15H2,1-2H3,(H,23,26)
InChIKeyYYIBZKMIYJXTCV-UHFFFAOYSA-N
XLogP2.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide
CID 75119452
2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide
CID 75119623
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9425239
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
CID 75119560
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109000031

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 75119447) is 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide is COc1ccc(C2CC(=O)N(CC(=O)NCCOc3ccc(C)cc3)CN2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is YYIBZKMIYJXTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-3-7-19(8-4-16)29-12-11-23-21(26)14-25-15-24-20(13-22(25)27)17-5-9-18(28-2)10-6-17/h3-10,20,24H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 75119447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).