2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide

C18H22FN3O6 — CID 155965435

IUPAC2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O6/c19-12-1-3-14(4-2-12)28-11-13(23)9-20-15(24)10-22-16(25)18(21-17(22)26)5-7-27-8-6-18/h1-4,13,23H,5-11H2,(H,20,24)(H,21,26)
InChIKeyHXWVLNQBSDJMMC-UHFFFAOYSA-N
MW395.39 g/mol
LogP-0.22
Rot. Bonds7

About 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide

2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide (PubChem CID 155965435) has the molecular formula C18H22FN3O6 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
PubChem CID155965435
Molecular FormulaC18H22FN3O6
Molecular Weight395.39 g/mol
Exact Mass395.15
IUPAC Name2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC(O)COc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O6/c19-12-1-3-14(4-2-12)28-11-13(23)9-20-15(24)10-22-16(25)18(21-17(22)26)5-7-27-8-6-18/h1-4,13,23H,5-11H2,(H,20,24)(H,21,26)
InChIKeyHXWVLNQBSDJMMC-UHFFFAOYSA-N
XLogP-0.22
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 71685389
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]morpholine-4-carboxamide
CID 155021513
3-(4-fluorophenoxy)propyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821334
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide (CID 155965435) is 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide is O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC(O)COc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide?
The InChIKey is HXWVLNQBSDJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O6/c19-12-1-3-14(4-2-12)28-11-13(23)9-20-15(24)10-22-16(25)18(21-17(22)26)5-7-27-8-6-18/h1-4,13,23H,5-11H2,(H,20,24)(H,21,26).
What are the key properties of 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide?
2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide has a molecular weight of 395.39 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 155965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).