3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C21H28N2O3 — CID 42982609

IUPAC3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCc1ccc(CC)c(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C21H28N2O3/c1-3-15-9-10-16(4-2)17(13-15)18(24)14-23-19(25)21(22-20(23)26)11-7-5-6-8-12-21/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,22,26)
InChIKeyIKYCUFJGTXDDSF-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.64
Rot. Bonds5

About 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 42982609) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID42982609
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCc1ccc(CC)c(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1
InChIInChI=1S/C21H28N2O3/c1-3-15-9-10-16(4-2)17(13-15)18(24)14-23-19(25)21(22-20(23)26)11-7-5-6-8-12-21/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,22,26)
InChIKeyIKYCUFJGTXDDSF-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277195
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42986805
(5S)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171078
5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42982560
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609704
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 42982609) is 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CCc1ccc(CC)c(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1.
What is the InChIKey of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is IKYCUFJGTXDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-15-9-10-16(4-2)17(13-15)18(24)14-23-19(25)21(22-20(23)26)11-7-5-6-8-12-21/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 356.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 42982609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).