[8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate

C21H27NO4 — CID 15390293

IUPAC[8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
SMILESCOC1CCC2(CC1)NC(=O)C(c1ccccc1C)=C2OC(=O)C(C)C
InChIInChI=1S/C21H27NO4/c1-13(2)20(24)26-18-17(16-8-6-5-7-14(16)3)19(23)22-21(18)11-9-15(25-4)10-12-21/h5-8,13,15H,9-12H2,1-4H3,(H,22,23)
InChIKeyQFRQGXWKOOUXCB-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.36
Rot. Bonds4

About [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate

[8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate (PubChem CID 15390293) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
PubChem CID15390293
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name[8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
SMILESCOC1CCC2(CC1)NC(=O)C(c1ccccc1C)=C2OC(=O)C(C)C
InChIInChI=1S/C21H27NO4/c1-13(2)20(24)26-18-17(16-8-6-5-7-14(16)3)19(23)22-21(18)11-9-15(25-4)10-12-21/h5-8,13,15H,9-12H2,1-4H3,(H,22,23)
InChIKeyQFRQGXWKOOUXCB-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
The IUPAC name of [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate (CID 15390293) is [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate.
What is the SMILES notation for [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
The canonical SMILES for [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate is COC1CCC2(CC1)NC(=O)C(c1ccccc1C)=C2OC(=O)C(C)C.
What is the InChIKey of [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
The InChIKey is QFRQGXWKOOUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-13(2)20(24)26-18-17(16-8-6-5-7-14(16)3)19(23)22-21(18)11-9-15(25-4)10-12-21/h5-8,13,15H,9-12H2,1-4H3,(H,22,23).
What are the key properties of [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate?
[8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate has a molecular weight of 357.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methoxy-3-(2-methylphenyl)-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate is sourced from PubChem (CID 15390293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).