2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide

C15H25N3O2 — CID 63572715

IUPAC2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
SMILESCCC(C)N(CC)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C15H25N3O2/c1-4-12(3)18(5-2)10-11-20-14-9-7-6-8-13(14)15(19)17-16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyMSIMESPNUOJQIM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.79
Rot. Bonds8

About 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide

2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide (PubChem CID 63572715) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
PubChem CID63572715
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
SMILESCCC(C)N(CC)CCOc1ccccc1C(=O)NN
InChIInChI=1S/C15H25N3O2/c1-4-12(3)18(5-2)10-11-20-14-9-7-6-8-13(14)15(19)17-16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyMSIMESPNUOJQIM-UHFFFAOYSA-N
XLogP1.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
2-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzohydrazide
CID 115988023
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
N-ethyl-N-[2-(2-ethylphenoxy)ethyl]butan-2-amine
CID 123572805
2-[3-[butan-2-yl(ethyl)amino]propoxy]benzenecarbothioamide
CID 43290732
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572520
2-pentoxybenzohydrazide
CID 54793215
2-[2-(4-methylpentan-2-yloxy)ethoxy]benzohydrazide
CID 63574572
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
CID 63578013

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide (CID 63572715) is 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide is CCC(C)N(CC)CCOc1ccccc1C(=O)NN.
What is the InChIKey of 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
The InChIKey is MSIMESPNUOJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-12(3)18(5-2)10-11-20-14-9-7-6-8-13(14)15(19)17-16/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide has a molecular weight of 279.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63572715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).