2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide

C12H18N2O2 — CID 17245093

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
SMILESCC(C)(C)Oc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-10-6-4-9(5-7-10)8-11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyCHFWZXNCWFQQSC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds3

About 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide (PubChem CID 17245093) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
PubChem CID17245093
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
SMILESCC(C)(C)Oc1ccc(CC(=O)NN)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-10-6-4-9(5-7-10)8-11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyCHFWZXNCWFQQSC-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
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-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide
CID 110474057
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
CID 110437454
N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437458
N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110436526
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]acetohydrazide
CID 105351577
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
CID 105351408
benzhydryl 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetate
CID 20570647
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide (CID 17245093) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide is CC(C)(C)Oc1ccc(CC(=O)NN)cc1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide?
The InChIKey is CHFWZXNCWFQQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-10-6-4-9(5-7-10)8-11(15)14-13/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide?
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide is sourced from PubChem (CID 17245093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).