ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate

C15H20N2O5 — CID 174174957

IUPACethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(C=O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C15H20N2O5/c1-2-21-15(19)10-17(11-18)14-4-3-13(9-16-14)22-12-5-7-20-8-6-12/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyYREIOGONJZSWJE-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.17
Rot. Bonds7

About ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate

ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate (PubChem CID 174174957) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate
PubChem CID174174957
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(C=O)c1ccc(OC2CCOCC2)cn1
InChIInChI=1S/C15H20N2O5/c1-2-21-15(19)10-17(11-18)14-4-3-13(9-16-14)22-12-5-7-20-8-6-12/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyYREIOGONJZSWJE-UHFFFAOYSA-N
XLogP1.17
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate (CID 174174957) is ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate is CCOC(=O)CN(C=O)c1ccc(OC2CCOCC2)cn1.
What is the InChIKey of ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate?
The InChIKey is YREIOGONJZSWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-2-21-15(19)10-17(11-18)14-4-3-13(9-16-14)22-12-5-7-20-8-6-12/h3-4,9,11-12H,2,5-8,10H2,1H3.
What are the key properties of ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate?
ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate has a molecular weight of 308.33 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[formyl-[5-(oxan-4-yloxy)-2-pyridinyl]amino]acetate is sourced from PubChem (CID 174174957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).