3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione

C20H27ClN2O5 — CID 90891487

IUPAC3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCON1C(=O)C(c2cc(C)c(Cl)cc2C)C(=O)C12CCN(OC)CC2
InChIInChI=1S/C20H27ClN2O5/c1-13-12-16(21)14(2)11-15(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
InChIKeyIHHVUPIZAYWHHY-UHFFFAOYSA-N
MW410.90 g/mol
LogP2.43
Rot. Bonds6

About 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione

3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 90891487) has the molecular formula C20H27ClN2O5 and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID90891487
Molecular FormulaC20H27ClN2O5
Molecular Weight410.90 g/mol
Exact Mass410.16
IUPAC Name3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCOCCON1C(=O)C(c2cc(C)c(Cl)cc2C)C(=O)C12CCN(OC)CC2
InChIInChI=1S/C20H27ClN2O5/c1-13-12-16(21)14(2)11-15(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
InChIKeyIHHVUPIZAYWHHY-UHFFFAOYSA-N
XLogP2.43
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 52.43
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-(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-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91125089
3-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90737002
3-(5-bromo-4-fluoro-2-methylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90976526
3-(4-chloro-2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428060
3-(2-chloro-4,6-dimethylphenyl)-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91245159
8-methoxy-3-(2,4,5-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 68774668
1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123877276
[3-(3-chloro-2,6-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58428093
1-ethoxy-8-(2-methylbutoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123495338
[3-(2,4-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 58427961
ethyl 2-[[3-(2,5-dimethylphenyl)-8-methoxy-1-(methoxymethoxy)-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl]oxy]acetate
CID 123708774

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione (CID 90891487) is 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione is COCCON1C(=O)C(c2cc(C)c(Cl)cc2C)C(=O)C12CCN(OC)CC2.
What is the InChIKey of 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IHHVUPIZAYWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O5/c1-13-12-16(21)14(2)11-15(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-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 410.90 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90891487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).