ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate

C25H28N4O6 — CID 23265613

IUPACethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OCC)cc3)nc(N(CC)CC)n2)cc1
InChIInChI=1S/C25H28N4O6/c1-5-29(6-2)23-26-24(34-19-13-9-17(10-14-19)21(30)32-7-3)28-25(27-23)35-20-15-11-18(12-16-20)22(31)33-8-4/h9-16H,5-8H2,1-4H3
InChIKeyVGGZEOQECOJCJY-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.66
Rot. Bonds11

About ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate

ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 23265613) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID23265613
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Nameethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OCC)cc3)nc(N(CC)CC)n2)cc1
InChIInChI=1S/C25H28N4O6/c1-5-29(6-2)23-26-24(34-19-13-9-17(10-14-19)21(30)32-7-3)28-25(27-23)35-20-15-11-18(12-16-20)22(31)33-8-4/h9-16H,5-8H2,1-4H3
InChIKeyVGGZEOQECOJCJY-UHFFFAOYSA-N
XLogP4.66
TPSA112.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate with MolForge

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Related Compounds

ethyl 4-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3236720
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
(2-methoxy-2-oxoethyl) 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 1001944
ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
CID 797071
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
CID 65019360
ethyl 4-(5-nitropyrimidin-2-yl)oxybenzoate
CID 65019585
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate (CID 23265613) is ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate is CCOC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OCC)cc3)nc(N(CC)CC)n2)cc1.
What is the InChIKey of ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is VGGZEOQECOJCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-5-29(6-2)23-26-24(34-19-13-9-17(10-14-19)21(30)32-7-3)28-25(27-23)35-20-15-11-18(12-16-20)22(31)33-8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate?
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 480.52 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 23265613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).