3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H22N2O2 — CID 103599854

IUPAC3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C17H22N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21)
InChIKeySMZDLGAQCMPQCY-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.08
Rot. Bonds3

About 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 103599854) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID103599854
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C17H22N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21)
InChIKeySMZDLGAQCMPQCY-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264231
8-ethyl-3-(2-methylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7568235
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
CID 126703053
8-ethyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30721988
N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
8-ethyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7639875
3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7911122
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120748655
3-benzyl-5,5-diethylimidazolidine-2,4-dione
CID 7181081
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 103599854) is 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SMZDLGAQCMPQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,21).
What are the key properties of 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103599854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).