ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate

C16H20N4O4 — CID 657589

IUPACethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate
SMILESCCNc1nc(Oc2ccccc2)nc(OC(C)C(=O)OCC)n1
InChIInChI=1S/C16H20N4O4/c1-4-17-14-18-15(23-11(3)13(21)22-5-2)20-16(19-14)24-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,17,18,19,20)
InChIKeyWIZAPDKCKXVOMF-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.43
Rot. Bonds8

About ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate

ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate (PubChem CID 657589) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate
PubChem CID657589
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Nameethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate
SMILESCCNc1nc(Oc2ccccc2)nc(OC(C)C(=O)OCC)n1
InChIInChI=1S/C16H20N4O4/c1-4-17-14-18-15(23-11(3)13(21)22-5-2)20-16(19-14)24-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,17,18,19,20)
InChIKeyWIZAPDKCKXVOMF-UHFFFAOYSA-N
XLogP2.43
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate?
The IUPAC name of ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate (CID 657589) is ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate is CCNc1nc(Oc2ccccc2)nc(OC(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate?
The InChIKey is WIZAPDKCKXVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-4-17-14-18-15(23-11(3)13(21)22-5-2)20-16(19-14)24-12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,17,18,19,20).
What are the key properties of ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate?
ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate has a molecular weight of 332.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate is sourced from PubChem (CID 657589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).