4-methyl-3-(2-methylpropoxy)benzohydrazide

C12H18N2O2 — CID 163359289

IUPAC4-methyl-3-(2-methylpropoxy)benzohydrazide
SMILESCc1ccc(C(=O)NN)cc1OCC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)7-16-11-6-10(12(15)14-13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyKBYNRPPCQMDLFD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-3-(2-methylpropoxy)benzohydrazide

4-methyl-3-(2-methylpropoxy)benzohydrazide (PubChem CID 163359289) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropoxy)benzohydrazide
PubChem CID163359289
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-methyl-3-(2-methylpropoxy)benzohydrazide
SMILESCc1ccc(C(=O)NN)cc1OCC(C)C
InChIInChI=1S/C12H18N2O2/c1-8(2)7-16-11-6-10(12(15)14-13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyKBYNRPPCQMDLFD-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
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-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-(cyclohexylmethoxy)-4-methylbenzohydrazide
CID 163359298
3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
CID 82070423
N-(2,5-dimethylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112759226
3-(3-amino-2-methyl-3-oxopropoxy)-4-methylbenzoic acid
CID 61379968
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-iodo-4-methylbenzohydrazide
CID 59732500
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 4-methyl-3-(2-methylpropoxy)benzohydrazide (CID 163359289) is 4-methyl-3-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 4-methyl-3-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 4-methyl-3-(2-methylpropoxy)benzohydrazide is Cc1ccc(C(=O)NN)cc1OCC(C)C.
What is the InChIKey of 4-methyl-3-(2-methylpropoxy)benzohydrazide?
The InChIKey is KBYNRPPCQMDLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)7-16-11-6-10(12(15)14-13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-3-(2-methylpropoxy)benzohydrazide?
4-methyl-3-(2-methylpropoxy)benzohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 163359289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).