3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H18N2O2 — CID 117062788

IUPAC3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCc1ccc(N2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-2-11-5-7-12(8-6-11)17-13(18)15(16-14(17)19)9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,16,19)
InChIKeyOCVAURILUDCJNL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds2

About 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 117062788) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID117062788
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCc1ccc(N2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-2-11-5-7-12(8-6-11)17-13(18)15(16-14(17)19)9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,16,19)
InChIKeyOCVAURILUDCJNL-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(aminomethyl)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81167433
3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione;methane
CID 143728934
7-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 115564979
3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 61289546
3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61295440
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 13206499
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277195
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-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 117062788) is 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is CCc1ccc(N2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is OCVAURILUDCJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-11-5-7-12(8-6-11)17-13(18)15(16-14(17)19)9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,16,19).
What are the key properties of 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 117062788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).