3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide

C15H25N3O2 — CID 63572520

IUPAC3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
SMILESCCC(C)N(CC)CCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H25N3O2/c1-4-12(3)18(5-2)9-10-20-14-8-6-7-13(11-14)15(19)17-16/h6-8,11-12H,4-5,9-10,16H2,1-3H3,(H,17,19)
InChIKeyVWEKJKNWWUSMDQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.79
Rot. Bonds8

About 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide

3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide (PubChem CID 63572520) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
PubChem CID63572520
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
SMILESCCC(C)N(CC)CCOc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H25N3O2/c1-4-12(3)18(5-2)9-10-20-14-8-6-7-13(11-14)15(19)17-16/h6-8,11-12H,4-5,9-10,16H2,1-3H3,(H,17,19)
InChIKeyVWEKJKNWWUSMDQ-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

3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
3-[2-[methyl(pentan-3-yl)amino]ethoxy]benzohydrazide
CID 63571617
3-[2-[1-cyanopropan-2-yl(methyl)amino]ethoxy]benzohydrazide
CID 63583349
3-pentoxybenzohydrazide
CID 54793157
3-[2-[2-hydroxyethyl(propyl)amino]ethoxy]benzohydrazide
CID 63583247
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
3-heptoxybenzohydrazide
CID 54793165
3-hexoxybenzohydrazide
CID 54793158
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62421824
2-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
3-[2-(3-methylbutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 107760958
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513

Frequently Asked Questions

What is the IUPAC name of 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide (CID 63572520) is 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide is CCC(C)N(CC)CCOc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
The InChIKey is VWEKJKNWWUSMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-12(3)18(5-2)9-10-20-14-8-6-7-13(11-14)15(19)17-16/h6-8,11-12H,4-5,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide?
3-[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 3-[2-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63572520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).