ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate

C18H18Cl2N2O5 — CID 12942999

IUPACethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O5/c1-3-25-16(23)10-21-17(24)11(2)26-13-4-6-14(7-5-13)27-18-15(20)8-12(19)9-22-18/h4-9,11H,3,10H2,1-2H3,(H,21,24)
InChIKeyKZDRZOFIRNIPBS-UHFFFAOYSA-N
MW413.26 g/mol
LogP3.63
Rot. Bonds8

About ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate

ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate (PubChem CID 12942999) has the molecular formula C18H18Cl2N2O5 and a molecular weight of 413.26 g/mol. Its IUPAC name is ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate
PubChem CID12942999
Molecular FormulaC18H18Cl2N2O5
Molecular Weight413.26 g/mol
Exact Mass412.06
IUPAC Nameethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate
SMILESCCOC(=O)CNC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O5/c1-3-25-16(23)10-21-17(24)11(2)26-13-4-6-14(7-5-13)27-18-15(20)8-12(19)9-22-18/h4-9,11H,3,10H2,1-2H3,(H,21,24)
InChIKeyKZDRZOFIRNIPBS-UHFFFAOYSA-N
XLogP3.63
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate?
The IUPAC name of ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate (CID 12942999) is ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate?
The canonical SMILES for ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate is CCOC(=O)CNC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate?
The InChIKey is KZDRZOFIRNIPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O5/c1-3-25-16(23)10-21-17(24)11(2)26-13-4-6-14(7-5-13)27-18-15(20)8-12(19)9-22-18/h4-9,11H,3,10H2,1-2H3,(H,21,24).
What are the key properties of ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate?
ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate has a molecular weight of 413.26 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoylamino]acetate is sourced from PubChem (CID 12942999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).