2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide

C13H18N4O2 — CID 63570448

IUPAC2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide
SMILESCN(CCC#N)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C13H18N4O2/c1-17(8-4-7-14)9-10-19-12-6-3-2-5-11(12)13(18)16-15/h2-3,5-6H,4,8-10,15H2,1H3,(H,16,18)
InChIKeyMBRPCDGTLARTEO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.51
Rot. Bonds7

About 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide

2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide (PubChem CID 63570448) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide
PubChem CID63570448
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide
SMILESCN(CCC#N)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C13H18N4O2/c1-17(8-4-7-14)9-10-19-12-6-3-2-5-11(12)13(18)16-15/h2-3,5-6H,4,8-10,15H2,1H3,(H,16,18)
InChIKeyMBRPCDGTLARTEO-UHFFFAOYSA-N
XLogP0.51
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
2-pentoxybenzohydrazide
CID 54793215
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
3-(2-aminophenoxy)-N,N-bis(2-cyanoethyl)propanamide
CID 61116679
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide (CID 63570448) is 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide is CN(CCC#N)CCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide?
The InChIKey is MBRPCDGTLARTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17(8-4-7-14)9-10-19-12-6-3-2-5-11(12)13(18)16-15/h2-3,5-6H,4,8-10,15H2,1H3,(H,16,18).
What are the key properties of 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide?
2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide has a molecular weight of 262.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63570448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).