2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

C17H22FNO3 — CID 118763452

IUPAC2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(COc1cccc(F)c1)NC1COC2(CCCCC2)C1
InChIInChI=1S/C17H22FNO3/c18-13-5-4-6-15(9-13)21-12-16(20)19-14-10-17(22-11-14)7-2-1-3-8-17/h4-6,9,14H,1-3,7-8,10-12H2,(H,19,20)
InChIKeyNIALDMPJPPUBHL-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.81
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide

2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (PubChem CID 118763452) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
PubChem CID118763452
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(COc1cccc(F)c1)NC1COC2(CCCCC2)C1
InChIInChI=1S/C17H22FNO3/c18-13-5-4-6-15(9-13)21-12-16(20)19-14-10-17(22-11-14)7-2-1-3-8-17/h4-6,9,14H,1-3,7-8,10-12H2,(H,19,20)
InChIKeyNIALDMPJPPUBHL-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
4-(4-fluorophenyl)-N-(1-oxaspiro[4.5]decan-3-yl)-4-oxobutanamide
CID 91841544
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222
2-(3-fluorophenoxy)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 65124161
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide (CID 118763452) is 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is O=C(COc1cccc(F)c1)NC1COC2(CCCCC2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is NIALDMPJPPUBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-13-5-4-6-15(9-13)21-12-16(20)19-14-10-17(22-11-14)7-2-1-3-8-17/h4-6,9,14H,1-3,7-8,10-12H2,(H,19,20).
What are the key properties of 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide?
2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(1-oxaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 118763452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).