Butazolidine alka

C19H25AlMgN2O6Si — CID 6367088

IUPAC—
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.O.[Al+3].[Mg].[OH-].[OH-].[OH-].[Si]
InChIInChI=1S/C19H20N2O2.Al.Mg.4H2O.Si/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;;;;;;;/h4-13,17H,2-3,14H2,1H3;;;4*1H2;/q;+3;;;;;;/p-3
InChIKeyFLIAPLVQLCJWGL-UHFFFAOYSA-K
MW456.79 g/mol
LogP1.29
Rot. Bonds5

About Butazolidine alka

Butazolidine alka (PubChem CID 6367088) has the molecular formula C19H25AlMgN2O6Si and a molecular weight of 456.79 g/mol.

Molecular Properties

Compound NameButazolidine alka
PubChem CID6367088
Molecular FormulaC19H25AlMgN2O6Si
Molecular Weight456.79 g/mol
Exact Mass456.11
IUPAC Name—
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.O.[Al+3].[Mg].[OH-].[OH-].[OH-].[Si]
InChIInChI=1S/C19H20N2O2.Al.Mg.4H2O.Si/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;;;;;;;/h4-13,17H,2-3,14H2,1H3;;;4*1H2;/q;+3;;;;;;/p-3
InChIKeyFLIAPLVQLCJWGL-UHFFFAOYSA-K
XLogP1.29
TPSA162.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.79
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Butazolidine alka?
The IUPAC name of Butazolidine alka (CID 6367088) is not available.
What is the SMILES notation for Butazolidine alka?
The canonical SMILES for Butazolidine alka is CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.O.[Al+3].[Mg].[OH-].[OH-].[OH-].[Si].
What is the InChIKey of Butazolidine alka?
The InChIKey is FLIAPLVQLCJWGL-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H20N2O2.Al.Mg.4H2O.Si/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;;;;;;;/h4-13,17H,2-3,14H2,1H3;;;4*1H2;/q;+3;;;;;;/p-3.
What are the key properties of Butazolidine alka?
Butazolidine alka has a molecular weight of 456.79 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Butazolidine alka is sourced from PubChem (CID 6367088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).