3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C24H21NO4 — CID 122187196

IUPAC3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)c(OC)c1
InChIInChI=1S/C24H21NO4/c1-25-23(27)21(19-10-9-18(28-2)15-20(19)29-3)22(16-7-5-4-6-8-16)24(25)13-11-17(26)12-14-24/h4-15H,1-3H3
InChIKeyGAKSIKSPLXPCHH-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.52
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122187196) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122187196
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)c(OC)c1
InChIInChI=1S/C24H21NO4/c1-25-23(27)21(19-10-9-18(28-2)15-20(19)29-3)22(16-7-5-4-6-8-16)24(25)13-11-17(26)12-14-24/h4-15H,1-3H3
InChIKeyGAKSIKSPLXPCHH-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122187196) is 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is COc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)N(C)C2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is GAKSIKSPLXPCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-25-23(27)21(19-10-9-18(28-2)15-20(19)29-3)22(16-7-5-4-6-8-16)24(25)13-11-17(26)12-14-24/h4-15H,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 387.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122187196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).