bis(2-aminooxyethyl) benzene-1,4-dicarboxylate

C12H16N2O6 — CID 164990085

IUPACbis(2-aminooxyethyl) benzene-1,4-dicarboxylate
SMILESNOCCOC(=O)c1ccc(C(=O)OCCON)cc1
InChIInChI=1S/C12H16N2O6/c13-19-7-5-17-11(15)9-1-2-10(4-3-9)12(16)18-6-8-20-14/h1-4H,5-8,13-14H2
InChIKeyGSOAVHBZXLGMRG-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.22
Rot. Bonds8

About bis(2-aminooxyethyl) benzene-1,4-dicarboxylate

bis(2-aminooxyethyl) benzene-1,4-dicarboxylate (PubChem CID 164990085) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is bis(2-aminooxyethyl) benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-aminooxyethyl) benzene-1,4-dicarboxylate
PubChem CID164990085
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Namebis(2-aminooxyethyl) benzene-1,4-dicarboxylate
SMILESNOCCOC(=O)c1ccc(C(=O)OCCON)cc1
InChIInChI=1S/C12H16N2O6/c13-19-7-5-17-11(15)9-1-2-10(4-3-9)12(16)18-6-8-20-14/h1-4H,5-8,13-14H2
InChIKeyGSOAVHBZXLGMRG-UHFFFAOYSA-N
XLogP-0.22
TPSA123.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-benzoyloxyethyl benzoate;ethene
CID 67969171
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
bis(4-hydroxybutyl) benzene-1,4-dicarboxylate
CID 11001391
2-(aminomethoxy)ethyl benzoate
CID 89228347
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130308397
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201

Frequently Asked Questions

What is the IUPAC name of bis(2-aminooxyethyl) benzene-1,4-dicarboxylate?
The IUPAC name of bis(2-aminooxyethyl) benzene-1,4-dicarboxylate (CID 164990085) is bis(2-aminooxyethyl) benzene-1,4-dicarboxylate.
What is the SMILES notation for bis(2-aminooxyethyl) benzene-1,4-dicarboxylate?
The canonical SMILES for bis(2-aminooxyethyl) benzene-1,4-dicarboxylate is NOCCOC(=O)c1ccc(C(=O)OCCON)cc1.
What is the InChIKey of bis(2-aminooxyethyl) benzene-1,4-dicarboxylate?
The InChIKey is GSOAVHBZXLGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c13-19-7-5-17-11(15)9-1-2-10(4-3-9)12(16)18-6-8-20-14/h1-4H,5-8,13-14H2.
What are the key properties of bis(2-aminooxyethyl) benzene-1,4-dicarboxylate?
bis(2-aminooxyethyl) benzene-1,4-dicarboxylate has a molecular weight of 284.27 g/mol, XLogP of -0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminooxyethyl) benzene-1,4-dicarboxylate is sourced from PubChem (CID 164990085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).