8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C22H33N3O5 — CID 154751077

IUPAC8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCOCC1C1CCCCC1=O)C2=O
InChIInChI=1S/C22H33N3O5/c1-2-15-7-9-22(10-8-15)20(28)25(21(29)23-22)13-19(27)24-11-12-30-14-17(24)16-5-3-4-6-18(16)26/h15-17H,2-14H2,1H3,(H,23,29)
InChIKeyQNFYDZPXXFNWOW-UHFFFAOYSA-N
MW419.52 g/mol
LogP1.86
Rot. Bonds4

About 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 154751077) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID154751077
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCOCC1C1CCCCC1=O)C2=O
InChIInChI=1S/C22H33N3O5/c1-2-15-7-9-22(10-8-15)20(28)25(21(29)23-22)13-19(27)24-11-12-30-14-17(24)16-5-3-4-6-18(16)26/h15-17H,2-14H2,1H3,(H,23,29)
InChIKeyQNFYDZPXXFNWOW-UHFFFAOYSA-N
XLogP1.86
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114907
(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 99717026
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
1-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 9474385
3-[2-(1-adamantyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264149
8-ethyl-3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119544004
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120659912
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891
8-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51138966
N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 55968177
3-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120659911

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 154751077) is 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCOCC1C1CCCCC1=O)C2=O.
What is the InChIKey of 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QNFYDZPXXFNWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-2-15-7-9-22(10-8-15)20(28)25(21(29)23-22)13-19(27)24-11-12-30-14-17(24)16-5-3-4-6-18(16)26/h15-17H,2-14H2,1H3,(H,23,29).
What are the key properties of 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 419.52 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[2-oxo-2-[3-(2-oxocyclohexyl)morpholin-4-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154751077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).