N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C30H44N2O5Si — CID 10098811

IUPACN'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(CO[Si](C)(C)C(C)(C)C)CO3)C(C)(C)C)c1
InChIInChI=1S/C30H44N2O5Si/c1-19-14-20(2)16-22(15-19)28(34)32(29(4,5)6)31-27(33)24-12-13-25-26(21(24)3)37-23(17-35-25)18-36-38(10,11)30(7,8)9/h12-16,23H,17-18H2,1-11H3,(H,31,33)
InChIKeyLOUVHVOLIHCWGR-UHFFFAOYSA-N
MW540.78 g/mol
LogP6.36
Rot. Bonds5

About N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 10098811) has the molecular formula C30H44N2O5Si and a molecular weight of 540.78 g/mol. Its IUPAC name is N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID10098811
Molecular FormulaC30H44N2O5Si
Molecular Weight540.78 g/mol
Exact Mass540.30
IUPAC NameN'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESCc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(CO[Si](C)(C)C(C)(C)C)CO3)C(C)(C)C)c1
InChIInChI=1S/C30H44N2O5Si/c1-19-14-20(2)16-22(15-19)28(34)32(29(4,5)6)31-27(33)24-12-13-25-26(21(24)3)37-23(17-35-25)18-36-38(10,11)30(7,8)9/h12-16,23H,17-18H2,1-11H3,(H,31,33)
InChIKeyLOUVHVOLIHCWGR-UHFFFAOYSA-N
XLogP6.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.78
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide 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 N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 10098811) is N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OC(CO[Si](C)(C)C(C)(C)C)CO3)C(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is LOUVHVOLIHCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O5Si/c1-19-14-20(2)16-22(15-19)28(34)32(29(4,5)6)31-27(33)24-12-13-25-26(21(24)3)37-23(17-35-25)18-36-38(10,11)30(7,8)9/h12-16,23H,17-18H2,1-11H3,(H,31,33).
What are the key properties of N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 540.78 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N'-(3,5-dimethylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 10098811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).