2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide

C15H25N3O2 — CID 63578013

IUPAC2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
SMILESCN(CCOc1ccccc1C(=O)NN)CC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-15(2,3)11-18(4)9-10-20-13-8-6-5-7-12(13)14(19)17-16/h5-8H,9-11,16H2,1-4H3,(H,17,19)
InChIKeyUCEJXAPMUUOTFP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide

2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide (PubChem CID 63578013) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
PubChem CID63578013
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide
SMILESCN(CCOc1ccccc1C(=O)NN)CC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-15(2,3)11-18(4)9-10-20-13-8-6-5-7-12(13)14(19)17-16/h5-8H,9-11,16H2,1-4H3,(H,17,19)
InChIKeyUCEJXAPMUUOTFP-UHFFFAOYSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.65
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-[2-cyanoethyl(methyl)amino]ethoxy]benzohydrazide
CID 63570448
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-[butan-2-yl(ethyl)amino]ethoxy]benzohydrazide
CID 63572715
2-[2-[butyl(ethyl)amino]ethoxy]benzohydrazide
CID 63569772
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
2-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzohydrazide
CID 79482895
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637
2-methoxybenzohydrazide
CID 24051

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide?
The IUPAC name of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide (CID 63578013) is 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide is CN(CCOc1ccccc1C(=O)NN)CC(C)(C)C.
What is the InChIKey of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide?
The InChIKey is UCEJXAPMUUOTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)11-18(4)9-10-20-13-8-6-5-7-12(13)14(19)17-16/h5-8H,9-11,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide?
2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide has a molecular weight of 279.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,2-dimethylpropyl(methyl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63578013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).