2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide

C12H18N2O2 — CID 116846700

IUPAC2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
SMILESCNNC(=O)COCc1ccc(C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(6-10(9)2)7-16-8-12(15)14-13-3/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyGWMZAFMCKABMLU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.07
Rot. Bonds5

About 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide

2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide (PubChem CID 116846700) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
PubChem CID116846700
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
SMILESCNNC(=O)COCc1ccc(C)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11(6-10(9)2)7-16-8-12(15)14-13-3/h4-6,13H,7-8H2,1-3H3,(H,14,15)
InChIKeyGWMZAFMCKABMLU-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-tert-butylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846699
2-[(3,4-dimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845305
2-[(4-ethoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846735
N'-methyl-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)methoxy]acetohydrazide
CID 116846784
2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846743
N-[(3,4-dimethylphenyl)methoxy]-1-phosphanylmethanamine
CID 58738332
2-[(4-ethoxy-3-methylphenyl)methoxy]-N',N'-dimethylacetohydrazide
CID 116847879
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
CID 82492265
N',N'-dimethyl-2-[(4-methylphenyl)methoxy]acetohydrazide
CID 116847839
1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
CID 102548255

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide?
The IUPAC name of 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide (CID 116846700) is 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide is CNNC(=O)COCc1ccc(C)c(C)c1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide?
The InChIKey is GWMZAFMCKABMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11(6-10(9)2)7-16-8-12(15)14-13-3/h4-6,13H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide?
2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide is sourced from PubChem (CID 116846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).