(2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide

C10H16N2O4 — CID 87087134

IUPAC(2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide
SMILESC/C(=C\CC/C=C(\C)C(=O)NO)C(=O)NO
InChIInChI=1S/C10H16N2O4/c1-7(9(13)11-15)5-3-4-6-8(2)10(14)12-16/h5-6,15-16H,3-4H2,1-2H3,(H,11,13)(H,12,14)/b7-5+,8-6+
InChIKeyZRSLHESYJSLIBS-KQQUZDAGSA-N
MW228.25 g/mol
LogP0.67
Rot. Bonds5

About (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide

(2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide (PubChem CID 87087134) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide.

Molecular Properties

Compound Name(2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide
PubChem CID87087134
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide
SMILESC/C(=C\CC/C=C(\C)C(=O)NO)C(=O)NO
InChIInChI=1S/C10H16N2O4/c1-7(9(13)11-15)5-3-4-6-8(2)10(14)12-16/h5-6,15-16H,3-4H2,1-2H3,(H,11,13)(H,12,14)/b7-5+,8-6+
InChIKeyZRSLHESYJSLIBS-KQQUZDAGSA-N
XLogP0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide?
The IUPAC name of (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide (CID 87087134) is (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide.
What is the SMILES notation for (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide?
The canonical SMILES for (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide is C/C(=C\CC/C=C(\C)C(=O)NO)C(=O)NO.
What is the InChIKey of (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide?
The InChIKey is ZRSLHESYJSLIBS-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(9(13)11-15)5-3-4-6-8(2)10(14)12-16/h5-6,15-16H,3-4H2,1-2H3,(H,11,13)(H,12,14)/b7-5+,8-6+.
What are the key properties of (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide?
(2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide has a molecular weight of 228.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,N'-dihydroxy-2,7-dimethylocta-2,6-dienediamide is sourced from PubChem (CID 87087134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).