3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one

C18H23ClN2O3 — CID 58537962

IUPAC3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1Cl)C(=O)N2C
InChIInChI=1S/C18H23ClN2O3/c1-11-9-12(2)14(13(19)10-11)15-16(22)18(20(3)17(15)23)5-7-21(24-4)8-6-18/h9-10,22H,5-8H2,1-4H3
InChIKeyGTDXNBMBNIYMEM-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.09
Rot. Bonds2

About 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one

3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58537962) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58537962
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1Cl)C(=O)N2C
InChIInChI=1S/C18H23ClN2O3/c1-11-9-12(2)14(13(19)10-11)15-16(22)18(20(3)17(15)23)5-7-21(24-4)8-6-18/h9-10,22H,5-8H2,1-4H3
InChIKeyGTDXNBMBNIYMEM-UHFFFAOYSA-N
XLogP3.09
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 58537962) is 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)C(O)=C(c1c(C)cc(C)cc1Cl)C(=O)N2C.
What is the InChIKey of 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is GTDXNBMBNIYMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-11-9-12(2)14(13(19)10-11)15-16(22)18(20(3)17(15)23)5-7-21(24-4)8-6-18/h9-10,22H,5-8H2,1-4H3.
What are the key properties of 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one?
3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 350.85 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-methyl-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58537962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).