3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione

C24H26ClNO2 — CID 91213569

IUPAC3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(-c2ccc(Cl)cc2)c(C)c1C1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C24H26ClNO2/c1-14-10-12-24(13-11-14)22(27)21(23(28)26-24)20-15(2)4-9-19(16(20)3)17-5-7-18(25)8-6-17/h4-9,14,21H,10-13H2,1-3H3,(H,26,28)
InChIKeyQGYHXXRODALSME-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.36
Rot. Bonds2

About 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione

3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 91213569) has the molecular formula C24H26ClNO2 and a molecular weight of 395.93 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
PubChem CID91213569
Molecular FormulaC24H26ClNO2
Molecular Weight395.93 g/mol
Exact Mass395.17
IUPAC Name3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione
SMILESCc1ccc(-c2ccc(Cl)cc2)c(C)c1C1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C24H26ClNO2/c1-14-10-12-24(13-11-14)22(27)21(23(28)26-24)20-15(2)4-9-19(16(20)3)17-5-7-18(25)8-6-17/h4-9,14,21H,10-13H2,1-3H3,(H,26,28)
InChIKeyQGYHXXRODALSME-UHFFFAOYSA-N
XLogP5.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-fluorophenyl)-2,6-dimethylphenyl]-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123199500
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54689456
3-(3-bromo-2,6-dimethylphenyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90735471
3-[5-(4-chlorophenyl)-4-fluoro-2-methylphenyl]-8-hydroxy-8-(trifluoromethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123302144
3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 91599739
3-[5-(4-chlorophenyl)-2-methylphenyl]-7-(methoxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 123284062
3-(2,4-dichloro-6-methylphenyl)-8-methoxy-1-azaspiro[4.4]nonane-2,4-dione
CID 67439161
3-(4-cyclopropyl-2,6-dimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91212908
3-[2-chloro-5-(3,4-difluorophenyl)phenyl]-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
CID 77242693
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-5-(2-hydroxyethyl)-5-methylpyrrolidine-2,4-dione
CID 90750009
2-[2-chloro-5-(4-chlorophenyl)phenyl]-11-methyl-9,12-dioxa-4-azadispiro[4.2.48.25]tetradecane-1,3-dione
CID 123689759
3-(2,6-diethyl-4-methylphenyl)-8-(hydroxymethyl)-1-azaspiro[4.5]decane-2,4-dione
CID 90786668

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione (CID 91213569) is 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione is Cc1ccc(-c2ccc(Cl)cc2)c(C)c1C1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is QGYHXXRODALSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO2/c1-14-10-12-24(13-11-14)22(27)21(23(28)26-24)20-15(2)4-9-19(16(20)3)17-5-7-18(25)8-6-17/h4-9,14,21H,10-13H2,1-3H3,(H,26,28).
What are the key properties of 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione?
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 395.93 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methyl-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91213569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).