3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide

C14H22BrN3O2 — CID 102774727

IUPAC3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)cc1Br)CC(C)(C)O
InChIInChI=1S/C14H22BrN3O2/c1-4-18(9-14(2,3)20)8-11-6-5-10(7-12(11)15)13(19)17-16/h5-7,20H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyZTDXECWORHYACE-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.65
Rot. Bonds6

About 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide

3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide (PubChem CID 102774727) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide
PubChem CID102774727
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccc(C(=O)NN)cc1Br)CC(C)(C)O
InChIInChI=1S/C14H22BrN3O2/c1-4-18(9-14(2,3)20)8-11-6-5-10(7-12(11)15)13(19)17-16/h5-7,20H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyZTDXECWORHYACE-UHFFFAOYSA-N
XLogP1.65
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.65
H-Bond Donors ≤ 53
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

4-[[bis(2-hydroxyethyl)amino]methyl]-3-bromobenzohydrazide
CID 102774570
1-[(2-bromo-4-nitrophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389845
3-bromo-4-[[methyl(pentyl)amino]methyl]benzohydrazide
CID 102774523
3-bromo-4-[[propan-2-yl(propyl)amino]methyl]benzohydrazide
CID 102774520
3-bromo-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 102774748
3-chloro-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarbothioamide
CID 102666302
3-bromo-4-[[methyl(oxan-4-yl)amino]methyl]benzohydrazide
CID 102774549
3-bromo-4-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 102767285
3-bromo-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzohydrazide
CID 102774672
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 79379614
3-bromo-4-[[ethyl(furan-2-ylmethyl)amino]methyl]benzoic acid
CID 102767130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide (CID 102774727) is 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide is CCN(Cc1ccc(C(=O)NN)cc1Br)CC(C)(C)O.
What is the InChIKey of 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide?
The InChIKey is ZTDXECWORHYACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-18(9-14(2,3)20)8-11-6-5-10(7-12(11)15)13(19)17-16/h5-7,20H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide?
3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide has a molecular weight of 344.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 102774727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).