1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione

C24H36N2O4 — CID 123877276

IUPAC1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCCCC(C)CON1CCC2(CC1)C(=O)C(c1c(C)cc(C)cc1C)C(=O)N2OC
InChIInChI=1S/C24H36N2O4/c1-7-8-16(2)15-30-25-11-9-24(10-12-25)22(27)21(23(28)26(24)29-6)20-18(4)13-17(3)14-19(20)5/h13-14,16,21H,7-12,15H2,1-6H3
InChIKeyCQPLDGCOYPWPLD-UHFFFAOYSA-N
MW416.56 g/mol
LogP3.87
Rot. Bonds7

About 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione

1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 123877276) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID123877276
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCCCC(C)CON1CCC2(CC1)C(=O)C(c1c(C)cc(C)cc1C)C(=O)N2OC
InChIInChI=1S/C24H36N2O4/c1-7-8-16(2)15-30-25-11-9-24(10-12-25)22(27)21(23(28)26(24)29-6)20-18(4)13-17(3)14-19(20)5/h13-14,16,21H,7-12,15H2,1-6H3
InChIKeyCQPLDGCOYPWPLD-UHFFFAOYSA-N
XLogP3.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(2,4-dimethylhexoxy)-1-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123876725
1-ethoxy-8-(2-methylbutoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123495338
8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90708160
3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90737002
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91125089
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91348064
3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91504729
3-(5-bromo-4-fluoro-2-methylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90976526
3-(2-chloro-4,6-dimethylphenyl)-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91245159
3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90891487
4-hydroxy-8-methoxy-1-methyl-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decan-2-one
CID 123325809
ethyl [8-methoxy-2-oxo-1-propan-2-yloxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]dec-3-en-4-yl] carbonate
CID 58428159

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione (CID 123877276) is 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione is CCCC(C)CON1CCC2(CC1)C(=O)C(c1c(C)cc(C)cc1C)C(=O)N2OC.
What is the InChIKey of 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CQPLDGCOYPWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-7-8-16(2)15-30-25-11-9-24(10-12-25)22(27)21(23(28)26(24)29-6)20-18(4)13-17(3)14-19(20)5/h13-14,16,21H,7-12,15H2,1-6H3.
What are the key properties of 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione?
1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 416.56 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123877276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).