[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

C22H27NO4 — CID 59141990

IUPAC[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2OC(=O)C1CC1
InChIInChI=1S/C22H27NO4/c1-13-4-5-14(2)17(12-13)18-19(27-21(25)15-6-7-15)22(23-20(18)24)10-8-16(26-3)9-11-22/h4-5,12,15-16H,6-11H2,1-3H3,(H,23,24)
InChIKeyQZYBJZIKSDARSM-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.43
Rot. Bonds4

About [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (PubChem CID 59141990) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
PubChem CID59141990
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2OC(=O)C1CC1
InChIInChI=1S/C22H27NO4/c1-13-4-5-14(2)17(12-13)18-19(27-21(25)15-6-7-15)22(23-20(18)24)10-8-16(26-3)9-11-22/h4-5,12,15-16H,6-11H2,1-3H3,(H,23,24)
InChIKeyQZYBJZIKSDARSM-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The IUPAC name of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate (CID 59141990) is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The canonical SMILES for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is COC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2OC(=O)C1CC1.
What is the InChIKey of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
The InChIKey is QZYBJZIKSDARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-13-4-5-14(2)17(12-13)18-19(27-21(25)15-6-7-15)22(23-20(18)24)10-8-16(26-3)9-11-22/h4-5,12,15-16H,6-11H2,1-3H3,(H,23,24).
What are the key properties of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate?
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate has a molecular weight of 369.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate is sourced from PubChem (CID 59141990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).