4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide

C10H14N4O2 — CID 23274291

IUPAC4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide
SMILESCN(CCO)/N=N/c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H14N4O2/c1-14(6-7-15)13-12-9-4-2-8(3-5-9)10(11)16/h2-5,15H,6-7H2,1H3,(H2,11,16)/b13-12+
InChIKeyKQHGGWMHNAHQIU-OUKQBFOZSA-N
MW222.25 g/mol
LogP0.71
Rot. Bonds5

About 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide

4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide (PubChem CID 23274291) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide
PubChem CID23274291
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide
SMILESCN(CCO)/N=N/c1ccc(C(N)=O)cc1
InChIInChI=1S/C10H14N4O2/c1-14(6-7-15)13-12-9-4-2-8(3-5-9)10(11)16/h2-5,15H,6-7H2,1H3,(H2,11,16)/b13-12+
InChIKeyKQHGGWMHNAHQIU-OUKQBFOZSA-N
XLogP0.71
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide?
The IUPAC name of 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide (CID 23274291) is 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide.
What is the SMILES notation for 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide?
The canonical SMILES for 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide is CN(CCO)/N=N/c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide?
The InChIKey is KQHGGWMHNAHQIU-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14(6-7-15)13-12-9-4-2-8(3-5-9)10(11)16/h2-5,15H,6-7H2,1H3,(H2,11,16)/b13-12+.
What are the key properties of 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide?
4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide has a molecular weight of 222.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide is sourced from PubChem (CID 23274291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).