2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

C18H23N3O5 — CID 25162197

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H23N3O5/c1-25-13-6-2-3-7-14(13)26-11-10-19-15(22)12-21-16(23)18(20-17(21)24)8-4-5-9-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyGPZZQGYDYHJNJB-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.05
Rot. Bonds7

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide (PubChem CID 25162197) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
PubChem CID25162197
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H23N3O5/c1-25-13-6-2-3-7-14(13)26-11-10-19-15(22)12-21-16(23)18(20-17(21)24)8-4-5-9-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyGPZZQGYDYHJNJB-UHFFFAOYSA-N
XLogP1.05
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-5,5-dimethylimidazolidine-2,4-dione
CID 138621362
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8384866
3-{3-[2-Methoxy-4-(1-propen-1-yl)phenoxy]propyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2216263
3-{4-[2-Methoxy-4-(1-propen-1-yl)phenoxy]butyl}-5,5-dimethyl-2,4-imidazolidinedione
CID 2216567
3-[2-Hydroxy-3-(2-methoxyphenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 3151247
2-(3-Bromophenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821456
2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9116668
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 9438454
8-{2-[2-(2-Methoxy-phenoxy)-ethylamino]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11279872
2-[4-[2-(4-Fluoro-2-methoxyphenoxy)ethylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 72711729
2-[4-[2-(2-Ethoxyphenoxy)ethylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 73350911
2-[4-[2-(2-Methoxyphenoxy)ethylamino]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 73356945

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide (CID 25162197) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide is COc1ccccc1OCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The InChIKey is GPZZQGYDYHJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-25-13-6-2-3-7-14(13)26-11-10-19-15(22)12-21-16(23)18(20-17(21)24)8-4-5-9-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 25162197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).