3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide

C14H20N4O2 — CID 63583349

IUPAC3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
SMILESCC(CC#N)N(C)CCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H20N4O2/c1-11(6-7-15)18(2)8-9-20-13-5-3-4-12(10-13)14(19)17-16/h3-5,10-11H,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyUHMBXJRNPWSTCQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds7

About 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide

3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide (PubChem CID 63583349) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
PubChem CID63583349
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
SMILESCC(CC#N)N(C)CCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C14H20N4O2/c1-11(6-7-15)18(2)8-9-20-13-5-3-4-12(10-13)14(19)17-16/h3-5,10-11H,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyUHMBXJRNPWSTCQ-UHFFFAOYSA-N
XLogP0.90
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
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

3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572520
3-[2-[butan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 43532634
3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
CID 63583247
3-pentoxybenzohydrazide
CID 54793157
3-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 113426090
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 63657559

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide (CID 63583349) is 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide is CC(CC#N)N(C)CCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide?
The InChIKey is UHMBXJRNPWSTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11(6-7-15)18(2)8-9-20-13-5-3-4-12(10-13)14(19)17-16/h3-5,10-11H,6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide?
3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide has a molecular weight of 276.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63583349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).