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

C18H23ClN2O4 — CID 91504729

IUPAC3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)C(=O)C(c1cc(C)c(C)cc1Cl)C(=O)N2OC
InChIInChI=1S/C18H23ClN2O4/c1-11-9-13(14(19)10-12(11)2)15-16(22)18(21(25-4)17(15)23)5-7-20(24-3)8-6-18/h9-10,15H,5-8H2,1-4H3
InChIKeyVIOVKDGRSVOZTP-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.41
Rot. Bonds3

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

3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 91504729) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID91504729
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione
SMILESCON1CCC2(CC1)C(=O)C(c1cc(C)c(C)cc1Cl)C(=O)N2OC
InChIInChI=1S/C18H23ClN2O4/c1-11-9-13(14(19)10-12(11)2)15-16(22)18(21(25-4)17(15)23)5-7-20(24-3)8-6-18/h9-10,15H,5-8H2,1-4H3
InChIKeyVIOVKDGRSVOZTP-UHFFFAOYSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.41
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

3-(4-chloro-2,5-dimethylphenyl)-8-methoxy-1-(2-methoxyethoxy)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 90891487
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-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
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-(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)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
CID 58537962
3-(3,4-dichlorophenyl)-8-methoxy-1-oxa-8-azaspiro[4.5]decane-2,4-dione
CID 91417294
1-ethoxy-8-(2-methylbutoxy)-3-(2,4,6-trimethylphenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 123495338
3-(2,4-dichloro-6-methylphenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 59584769

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione (CID 91504729) is 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione is CON1CCC2(CC1)C(=O)C(c1cc(C)c(C)cc1Cl)C(=O)N2OC.
What is the InChIKey of 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is VIOVKDGRSVOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-11-9-13(14(19)10-12(11)2)15-16(22)18(21(25-4)17(15)23)5-7-20(24-3)8-6-18/h9-10,15H,5-8H2,1-4H3.
What are the key properties of 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione?
3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 366.85 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,5-dimethylphenyl)-1,8-dimethoxy-1,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 91504729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).