8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

C19H26N2O — CID 22428767

IUPAC8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C19H26N2O/c1-13-5-7-14(8-6-13)16-17(22)21-19(20-16)11-9-15(10-12-19)18(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,21,22)
InChIKeyLNKVFXMAAISBPL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.85
Rot. Bonds1

About 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one

8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 22428767) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID22428767
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)NC2=O)cc1
InChIInChI=1S/C19H26N2O/c1-13-5-7-14(8-6-13)16-17(22)21-19(20-16)11-9-15(10-12-19)18(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,21,22)
InChIKeyLNKVFXMAAISBPL-UHFFFAOYSA-N
XLogP3.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 3242855
5-(3-fluorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3240492
2,2-dimethyl-5-(4-methylphenyl)-2,3-dihydro-4H-imidazol-4-one
CID 9550805
3-(4-Fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 3242267
2,2-dimethyl-5-phenyl-2,3-dihydro-4H-imidazol-4-one
CID 6621552
3-(3,4-Dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 23602561
3-[4-(Tert-butyl)phenyl]-8-(methylsulfonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53043389
3-(4-Methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428769
8-Tert-butyl-3-(3-fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428591
3-(4-Methylphenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 22428768
3-Phenyl-1,4-diazaspiro[4.4]non-3-en-2-one
CID 6621574
3-(3-Fluorophenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one
CID 22428587

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 22428767) is 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one is Cc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)NC2=O)cc1.
What is the InChIKey of 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is LNKVFXMAAISBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-5-7-14(8-6-13)16-17(22)21-19(20-16)11-9-15(10-12-19)18(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,21,22).
What are the key properties of 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one?
8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 298.43 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(4-methylphenyl)-1,4-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 22428767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).