3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione

C20H27BrN2O5 — CID 90737002

IUPAC3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCON1C(=O)C(c2c(C)cc(C)cc2Br)C(=O)C12CCN(OC)CC2
InChIInChI=1S/C20H27BrN2O5/c1-13-11-14(2)16(15(21)12-13)17-18(24)20(5-7-22(27-4)8-6-20)23(19(17)25)28-10-9-26-3/h11-12,17H,5-10H2,1-4H3
InChIKeyLARMYOMCCHYTFQ-UHFFFAOYSA-N
MW455.35 g/mol
LogP2.53
Rot. Bonds6

About 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione

3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 90737002) has the molecular formula C20H27BrN2O5 and a molecular weight of 455.35 g/mol. Its IUPAC name is 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID90737002
Molecular FormulaC20H27BrN2O5
Molecular Weight455.35 g/mol
Exact Mass454.11
IUPAC Name3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCON1C(=O)C(c2c(C)cc(C)cc2Br)C(=O)C12CCN(OC)CC2
InChIInChI=1S/C20H27BrN2O5/c1-13-11-14(2)16(15(21)12-13)17-18(24)20(5-7-22(27-4)8-6-20)23(19(17)25)28-10-9-26-3/h11-12,17H,5-10H2,1-4H3
InChIKeyLARMYOMCCHYTFQ-UHFFFAOYSA-N
XLogP2.53
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91125089
3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90891487
8-methoxy-1-(1-methoxypiperidin-4-yl)oxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90708160
8-(2-bromo-4,6-dimethylphenyl)-3-methoxy-1,2,4,5-tetrahydropyrazolo[1,2-a][1,2,5]triazepine-7,9-dione
CID 89330047
1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123877276
3-(2-chloro-4,6-dimethylphenyl)-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91245159
1-ethoxy-8-(2-methylbutoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123495338
8-(2,4-dimethylhexoxy)-1-methoxy-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123876725
3-(5-bromo-4-fluoro-2-methylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90976526
[3-(5-bromo-2,4-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58428126
3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91504729
3-(4-bromo-2,6-dimethylphenyl)-8-methoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 58031200

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione (CID 90737002) is 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione is COCCON1C(=O)C(c2c(C)cc(C)cc2Br)C(=O)C12CCN(OC)CC2.
What is the InChIKey of 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LARMYOMCCHYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O5/c1-13-11-14(2)16(15(21)12-13)17-18(24)20(5-7-22(27-4)8-6-20)23(19(17)25)28-10-9-26-3/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 455.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90737002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).