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

C36H44N2O5 — CID 139594160

IUPAC3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2
InChIInChI=1S/C36H44N2O5/c1-21-7-9-23(3)27(19-21)29-31(35(37-33(29)39)15-11-25(41-5)12-16-35)43-32-30(28-20-22(2)8-10-24(28)4)34(40)38-36(32)17-13-26(42-6)14-18-36/h7-10,19-20,25-26H,11-18H2,1-6H3,(H,37,39)(H,38,40)
InChIKeyAIBZPEBHXZUTDQ-UHFFFAOYSA-N
MW584.76 g/mol
LogP5.97
Rot. Bonds6

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

3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 139594160) has the molecular formula C36H44N2O5 and a molecular weight of 584.76 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID139594160
Molecular FormulaC36H44N2O5
Molecular Weight584.76 g/mol
Exact Mass584.33
IUPAC Name3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCOC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2
InChIInChI=1S/C36H44N2O5/c1-21-7-9-23(3)27(19-21)29-31(35(37-33(29)39)15-11-25(41-5)12-16-35)43-32-30(28-20-22(2)8-10-24(28)4)34(40)38-36(32)17-13-26(42-6)14-18-36/h7-10,19-20,25-26H,11-18H2,1-6H3,(H,37,39)(H,38,40)
InChIKeyAIBZPEBHXZUTDQ-UHFFFAOYSA-N
XLogP5.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one (CID 139594160) is 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is COC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is AIBZPEBHXZUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N2O5/c1-21-7-9-23(3)27(19-21)29-31(35(37-33(29)39)15-11-25(41-5)12-16-35)43-32-30(28-20-22(2)8-10-24(28)4)34(40)38-36(32)17-13-26(42-6)14-18-36/h7-10,19-20,25-26H,11-18H2,1-6H3,(H,37,39)(H,38,40).
What are the key properties of 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one?
3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 584.76 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 139594160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).