[3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate

C27H29NO4 — CID 57413633

IUPAC[3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate
SMILESCc1ccc(C)c(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)c1
InChIInChI=1S/C27H29NO4/c1-16-5-7-18(3)20(13-16)15-23(30)32-25-24(22-14-17(2)6-8-19(22)4)26(31)28-27(25)11-9-21(29)10-12-27/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,31)
InChIKeyIRXSPAQGNKLLEG-UHFFFAOYSA-N
MW431.53 g/mol
LogP4.43
Rot. Bonds4

About [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate

[3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate (PubChem CID 57413633) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate
PubChem CID57413633
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name[3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate
SMILESCc1ccc(C)c(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)c1
InChIInChI=1S/C27H29NO4/c1-16-5-7-18(3)20(13-16)15-23(30)32-25-24(22-14-17(2)6-8-19(22)4)26(31)28-27(25)11-9-21(29)10-12-27/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,31)
InChIKeyIRXSPAQGNKLLEG-UHFFFAOYSA-N
XLogP4.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate 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)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate?
The IUPAC name of [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate (CID 57413633) is [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate?
The canonical SMILES for [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate is Cc1ccc(C)c(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)c1.
What is the InChIKey of [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate?
The InChIKey is IRXSPAQGNKLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-16-5-7-18(3)20(13-16)15-23(30)32-25-24(22-14-17(2)6-8-19(22)4)26(31)28-27(25)11-9-21(29)10-12-27/h5-8,13-14H,9-12,15H2,1-4H3,(H,28,31).
What are the key properties of [3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate?
[3-(2,5-dimethylphenyl)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate has a molecular weight of 431.53 g/mol, XLogP of 4.43, 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)-2,8-dioxo-1-azaspiro[4.5]dec-3-en-4-yl] 2-(2,5-dimethylphenyl)acetate is sourced from PubChem (CID 57413633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).