2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H23FN2O3 — CID 35425060

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCCc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c18-15-3-1-14(2-4-15)5-8-19-16(21)13-20-9-6-17(7-10-20)22-11-12-23-17/h1-4H,5-13H2,(H,19,21)
InChIKeyFGHNCSJGSKEGPW-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.32
Rot. Bonds5

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 35425060) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID35425060
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)NCCc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3/c18-15-3-1-14(2-4-15)5-8-19-16(21)13-20-9-6-17(7-10-20)22-11-12-23-17/h1-4H,5-13H2,(H,19,21)
InChIKeyFGHNCSJGSKEGPW-UHFFFAOYSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 35425060) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CN1CCC2(CC1)OCCO2)NCCc1ccc(F)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is FGHNCSJGSKEGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c18-15-3-1-14(2-4-15)5-8-19-16(21)13-20-9-6-17(7-10-20)22-11-12-23-17/h1-4H,5-13H2,(H,19,21).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 322.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 35425060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).