3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide

C17H20N2O2 — CID 840752

IUPAC3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
SMILESCC(C)c1ccc(OCc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-6-8-16(9-7-14)21-11-13-4-3-5-15(10-13)17(20)19-18/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeySLNUSFMZNOPQAD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.99
Rot. Bonds5

About 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide

3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide (PubChem CID 840752) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
PubChem CID840752
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
SMILESCC(C)c1ccc(OCc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-12(2)14-6-8-16(9-7-14)21-11-13-4-3-5-15(10-13)17(20)19-18/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeySLNUSFMZNOPQAD-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[(4-formylphenoxy)methyl]benzohydrazide
CID 63571221
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443
3-[(3,4-dichlorophenoxy)methyl]benzohydrazide
CID 63575567
3-[(4-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4055006
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
N-[(2-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19294521
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19331046
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide (CID 840752) is 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide is CC(C)c1ccc(OCc2cccc(C(=O)NN)c2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide?
The InChIKey is SLNUSFMZNOPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)14-6-8-16(9-7-14)21-11-13-4-3-5-15(10-13)17(20)19-18/h3-10,12H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide?
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 840752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).