2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide

C15H22N4O2 — CID 63579637

IUPAC2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
SMILESCC(C)N(CCC#N)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C15H22N4O2/c1-12(2)19(9-5-8-16)10-11-21-14-7-4-3-6-13(14)15(20)18-17/h3-4,6-7,12H,5,9-11,17H2,1-2H3,(H,18,20)
InChIKeyBTRODQJNXXTLOB-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.29
Rot. Bonds8

About 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide

2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide (PubChem CID 63579637) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
PubChem CID63579637
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
SMILESCC(C)N(CCC#N)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C15H22N4O2/c1-12(2)19(9-5-8-16)10-11-21-14-7-4-3-6-13(14)15(20)18-17/h3-4,6-7,12H,5,9-11,17H2,1-2H3,(H,18,20)
InChIKeyBTRODQJNXXTLOB-UHFFFAOYSA-N
XLogP1.29
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.29
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(methyl)amino]ethoxy]benzohydrazide
CID 63570448
2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013
2-[[2-cyanoethyl(propan-2-yl)amino]methyl]furan-3-carbohydrazide
CID 63578917
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-pentoxybenzohydrazide
CID 54793215
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
2-[2-(2-methylpropylsulfanyl)ethoxy]benzohydrazide
CID 55213700
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
The IUPAC name of 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide (CID 63579637) is 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide is CC(C)N(CCC#N)CCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
The InChIKey is BTRODQJNXXTLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(2)19(9-5-8-16)10-11-21-14-7-4-3-6-13(14)15(20)18-17/h3-4,6-7,12H,5,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide has a molecular weight of 290.37 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63579637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).