5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C15H17NO6 — CID 659997

IUPAC5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C15H17NO6/c1-15(2)21-13(17)10(14(18)22-15)8-16-11-7-9(19-3)5-6-12(11)20-4/h5-8,16H,1-4H3
InChIKeyDIYNLIYFYDWZMS-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.84
Rot. Bonds4

About 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 659997) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID659997
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1
InChIInChI=1S/C15H17NO6/c1-15(2)21-13(17)10(14(18)22-15)8-16-11-7-9(19-3)5-6-12(11)20-4/h5-8,16H,1-4H3
InChIKeyDIYNLIYFYDWZMS-UHFFFAOYSA-N
XLogP1.84
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-cyano-3-[(2,5-dimethoxyphenyl)amino]prop-2-enoate
CID 1957350
5-[(2-Methoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 721786
1-allyl-N-(2,5-dimethoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1483582
3-(((2,5-Dimethoxyphenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 659985
3-(((2-Methoxyphenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 660045
3-{[(2-Ethoxyphenyl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 757278
(2Z)-2-{[(2,5-dimethoxyphenyl)amino]methylidene}cyclohexanone
CID 2189191
5-[(3-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 757248
5-{[(3-Hydroxyphenyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 3240846
5-{[(2-Ethoxyphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 659981
5-[(1,3-Benzodioxol-5-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 757259
3-(((3-Methoxyphenyl)amino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 757277

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 659997) is 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is COc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1.
What is the InChIKey of 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is DIYNLIYFYDWZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-15(2)21-13(17)10(14(18)22-15)8-16-11-7-9(19-3)5-6-12(11)20-4/h5-8,16H,1-4H3.
What are the key properties of 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 307.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 659997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).