3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C15H18N2O2 — CID 940140

IUPAC3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cccc(N2C(=O)NC3(CCCCC3)C2=O)c1
InChIInChI=1S/C15H18N2O2/c1-11-6-5-7-12(10-11)17-13(18)15(16-14(17)19)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,16,19)
InChIKeyCYKGISYTZNRFSN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.75
Rot. Bonds1

About 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 940140) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID940140
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1cccc(N2C(=O)NC3(CCCCC3)C2=O)c1
InChIInChI=1S/C15H18N2O2/c1-11-6-5-7-12(10-11)17-13(18)15(16-14(17)19)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,16,19)
InChIKeyCYKGISYTZNRFSN-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.75
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

N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632
3-(4-Chloro-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 1448368
5,5-Dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin
CID 129851
Hydantoin, 5,5-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 3054079
3-(3-Chlorophenyl)-1,3-diazaspiro(4.5)decane-2,4-dione
CID 935328
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2086380
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 2106714
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)-4-imidazolidinyl]-3-methylbutanamide
CID 2967472
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4875722

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 940140) is 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1cccc(N2C(=O)NC3(CCCCC3)C2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CYKGISYTZNRFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-6-5-7-12(10-11)17-13(18)15(16-14(17)19)8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,16,19).
What are the key properties of 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 940140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).