[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate

C25H36N2O4 — CID 143985864

IUPAC[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)cc(C(C)C)cc1C)=C2OC(=O)C(C)(C)C
InChIInChI=1S/C25H36N2O4/c1-15(2)18-13-16(3)19(17(4)14-18)20-21(31-23(29)24(5,6)7)25(26-22(20)28)9-11-27(30-8)12-10-25/h13-15H,9-12H2,1-8H3,(H,26,28)
InChIKeyBRQVCVGYFZWWMC-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.25
Rot. Bonds4

About [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate

[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate (PubChem CID 143985864) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
PubChem CID143985864
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
SMILESCON1CCC2(CC1)NC(=O)C(c1c(C)cc(C(C)C)cc1C)=C2OC(=O)C(C)(C)C
InChIInChI=1S/C25H36N2O4/c1-15(2)18-13-16(3)19(17(4)14-18)20-21(31-23(29)24(5,6)7)25(26-22(20)28)9-11-27(30-8)12-10-25/h13-15H,9-12H2,1-8H3,(H,26,28)
InChIKeyBRQVCVGYFZWWMC-UHFFFAOYSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate (CID 143985864) is [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate is CON1CCC2(CC1)NC(=O)C(c1c(C)cc(C(C)C)cc1C)=C2OC(=O)C(C)(C)C.
What is the InChIKey of [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The InChIKey is BRQVCVGYFZWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-15(2)18-13-16(3)19(17(4)14-18)20-21(31-23(29)24(5,6)7)25(26-22(20)28)9-11-27(30-8)12-10-25/h13-15H,9-12H2,1-8H3,(H,26,28).
What are the key properties of [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
[3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate has a molecular weight of 428.57 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethyl-4-propan-2-ylphenyl)-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 143985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).