[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate

C20H28N2O5Si2 — CID 3092383

IUPAC[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate
SMILESC[Si](C)(COC(=O)c1ccc(N)cc1)O[Si](C)(C)COC(=O)c1ccc(N)cc1
InChIInChI=1S/C20H28N2O5Si2/c1-28(2,13-25-19(23)15-5-9-17(21)10-6-15)27-29(3,4)14-26-20(24)16-7-11-18(22)12-8-16/h5-12H,13-14,21-22H2,1-4H3
InChIKeyFHQPZAXVDASHHQ-UHFFFAOYSA-N
MW432.63 g/mol
LogP3.37
Rot. Bonds8

About [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate

[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate (PubChem CID 3092383) has the molecular formula C20H28N2O5Si2 and a molecular weight of 432.63 g/mol. Its IUPAC name is [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate.

Molecular Properties

Compound Name[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate
PubChem CID3092383
Molecular FormulaC20H28N2O5Si2
Molecular Weight432.63 g/mol
Exact Mass432.15
IUPAC Name[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate
SMILESC[Si](C)(COC(=O)c1ccc(N)cc1)O[Si](C)(C)COC(=O)c1ccc(N)cc1
InChIInChI=1S/C20H28N2O5Si2/c1-28(2,13-25-19(23)15-5-9-17(21)10-6-15)27-29(3,4)14-26-20(24)16-7-11-18(22)12-8-16/h5-12H,13-14,21-22H2,1-4H3
InChIKeyFHQPZAXVDASHHQ-UHFFFAOYSA-N
XLogP3.37
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilylmethyl 4-aminobenzoate
CID 13238788
trimethoxysilylmethyl 4-aminobenzoate
CID 13238790
ethyl 4-aminobenzoate
CID 2337
butane;ethyl 4-aminobenzoate
CID 67389405
methoxymethyl 4-aminobenzoate
CID 65364414
2-methylpropyl 4-aminobenzoate
CID 23616374
3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;bis(4-aminophenyl)methanone
CID 67071859
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
CID 70022386
thiophen-2-ylmethyl 4-aminobenzoate
CID 61322513
3-trimethoxysilylpropyl 4-aminobenzoate
CID 142678171

Frequently Asked Questions

What is the IUPAC name of [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate?
The IUPAC name of [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate (CID 3092383) is [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate.
What is the SMILES notation for [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate?
The canonical SMILES for [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate is C[Si](C)(COC(=O)c1ccc(N)cc1)O[Si](C)(C)COC(=O)c1ccc(N)cc1.
What is the InChIKey of [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate?
The InChIKey is FHQPZAXVDASHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5Si2/c1-28(2,13-25-19(23)15-5-9-17(21)10-6-15)27-29(3,4)14-26-20(24)16-7-11-18(22)12-8-16/h5-12H,13-14,21-22H2,1-4H3.
What are the key properties of [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate?
[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate has a molecular weight of 432.63 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate is sourced from PubChem (CID 3092383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).