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

C25H29ClN2O5 — CID 91348064

IUPAC3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCOCON1C(=O)C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)C(=O)C12CCN(OC)CC2
InChIInChI=1S/C25H29ClN2O5/c1-16-13-19(18-5-7-20(26)8-6-18)14-17(2)21(16)22-23(29)25(9-11-27(32-4)12-10-25)28(24(22)30)33-15-31-3/h5-8,13-14,22H,9-12,15H2,1-4H3
InChIKeyXCAJDMXNXQJNPG-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.05
Rot. Bonds6

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

3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 91348064) has the molecular formula C25H29ClN2O5 and a molecular weight of 472.97 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID91348064
Molecular FormulaC25H29ClN2O5
Molecular Weight472.97 g/mol
Exact Mass472.18
IUPAC Name3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCOCON1C(=O)C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)C(=O)C12CCN(OC)CC2
InChIInChI=1S/C25H29ClN2O5/c1-16-13-19(18-5-7-20(26)8-6-18)14-17(2)21(16)22-23(29)25(9-11-27(32-4)12-10-25)28(24(22)30)33-15-31-3/h5-8,13-14,22H,9-12,15H2,1-4H3
InChIKeyXCAJDMXNXQJNPG-UHFFFAOYSA-N
XLogP4.05
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(2-bromo-4,6-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90737002
3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90891487
3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91504729
3-(2-chloro-4,6-dimethylphenyl)-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 91245159
1-methoxy-8-(2-methylpentoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123877276
3-(4-chloro-2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58428060
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
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-5-(methoxymethyl)-5-methylpyrrolidine-2,4-dione
CID 67493809
3-(5-bromo-4-fluoro-2-methylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90976526
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-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione (CID 91348064) is 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione is COCON1C(=O)C(c2c(C)cc(-c3ccc(Cl)cc3)cc2C)C(=O)C12CCN(OC)CC2.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XCAJDMXNXQJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O5/c1-16-13-19(18-5-7-20(26)8-6-18)14-17(2)21(16)22-23(29)25(9-11-27(32-4)12-10-25)28(24(22)30)33-15-31-3/h5-8,13-14,22H,9-12,15H2,1-4H3.
What are the key properties of 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione?
3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 472.97 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-1-(methoxymethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91348064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).