ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate

C18H25N3O4 — CID 118739617

IUPACethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)CC(NC(=O)c1ccccn1)CO2
InChIInChI=1S/C18H25N3O4/c1-2-24-16(22)12-21-9-6-18(7-10-21)11-14(13-25-18)20-17(23)15-5-3-4-8-19-15/h3-5,8,14H,2,6-7,9-13H2,1H3,(H,20,23)
InChIKeyRGICVMMVCABUJJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate

ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate (PubChem CID 118739617) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate
PubChem CID118739617
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)CC(NC(=O)c1ccccn1)CO2
InChIInChI=1S/C18H25N3O4/c1-2-24-16(22)12-21-9-6-18(7-10-21)11-14(13-25-18)20-17(23)15-5-3-4-8-19-15/h3-5,8,14H,2,6-7,9-13H2,1H3,(H,20,23)
InChIKeyRGICVMMVCABUJJ-UHFFFAOYSA-N
XLogP1.00
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate?
The IUPAC name of ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate (CID 118739617) is ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate?
The canonical SMILES for ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate is CCOC(=O)CN1CCC2(CC1)CC(NC(=O)c1ccccn1)CO2.
What is the InChIKey of ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate?
The InChIKey is RGICVMMVCABUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-24-16(22)12-21-9-6-18(7-10-21)11-14(13-25-18)20-17(23)15-5-3-4-8-19-15/h3-5,8,14H,2,6-7,9-13H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate?
ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate has a molecular weight of 347.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate is sourced from PubChem (CID 118739617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).