4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide

C14H20N2O10 — CID 163133553

IUPAC4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
SMILESCC(=O)OCCOc1cc(OCCOC(C)=O)c([NH+]([O-])O)cc1[NH+]([O-])O
InChIInChI=1S/C14H20N2O10/c1-9(17)23-3-5-25-13-8-14(26-6-4-24-10(2)18)12(16(21)22)7-11(13)15(19)20/h7-8,15-16,19,21H,3-6H2,1-2H3
InChIKeyHBFJCDZSIJSLFC-UHFFFAOYSA-N
MW376.32 g/mol
LogP-1.62
Rot. Bonds10

About 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide

4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide (PubChem CID 163133553) has the molecular formula C14H20N2O10 and a molecular weight of 376.32 g/mol. Its IUPAC name is 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide.

Molecular Properties

Compound Name4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
PubChem CID163133553
Molecular FormulaC14H20N2O10
Molecular Weight376.32 g/mol
Exact Mass376.11
IUPAC Name4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
SMILESCC(=O)OCCOc1cc(OCCOC(C)=O)c([NH+]([O-])O)cc1[NH+]([O-])O
InChIInChI=1S/C14H20N2O10/c1-9(17)23-3-5-25-13-8-14(26-6-4-24-10(2)18)12(16(21)22)7-11(13)15(19)20/h7-8,15-16,19,21H,3-6H2,1-2H3
InChIKeyHBFJCDZSIJSLFC-UHFFFAOYSA-N
XLogP-1.62
TPSA166.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The IUPAC name of 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide (CID 163133553) is 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide.
What is the SMILES notation for 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The canonical SMILES for 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide is CC(=O)OCCOc1cc(OCCOC(C)=O)c([NH+]([O-])O)cc1[NH+]([O-])O.
What is the InChIKey of 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The InChIKey is HBFJCDZSIJSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O10/c1-9(17)23-3-5-25-13-8-14(26-6-4-24-10(2)18)12(16(21)22)7-11(13)15(19)20/h7-8,15-16,19,21H,3-6H2,1-2H3.
What are the key properties of 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide has a molecular weight of 376.32 g/mol, XLogP of -1.62, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-acetyloxyethoxy)-1-N,3-N-dihydroxybenzene-1,3-diamine oxide is sourced from PubChem (CID 163133553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).