2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide

C13H20N2O2 — CID 116847844

IUPAC2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide
SMILESCc1ccc(C)c(COCC(=O)NN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(2)12(7-10)8-17-9-13(16)14-15(3)4/h5-7H,8-9H2,1-4H3,(H,14,16)
InChIKeyDCYFBKNWWNJJMX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide

2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide (PubChem CID 116847844) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide
PubChem CID116847844
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide
SMILESCc1ccc(C)c(COCC(=O)NN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-10-5-6-11(2)12(7-10)8-17-9-13(16)14-15(3)4/h5-7H,8-9H2,1-4H3,(H,14,16)
InChIKeyDCYFBKNWWNJJMX-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-2-[(4-methylphenyl)methoxy]acetohydrazide
CID 116847839
4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847676
2-[(4-ethoxy-3-methylphenyl)methoxy]-N',N'-dimethylacetohydrazide
CID 116847879
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxoacetate
CID 115142441
N',N'-dimethyl-2-(2,4,6-trimethylphenyl)acetohydrazide
CID 116847434
2-[2-[[2-(2,5-dimethylphenyl)acetyl]amino]ethoxy]acetic acid
CID 79468988
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
2-[(2,5-dimethylphenyl)methylamino]oxyacetamide
CID 112672460
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]acetate
CID 78765913

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide (CID 116847844) is 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide is Cc1ccc(C)c(COCC(=O)NN(C)C)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide?
The InChIKey is DCYFBKNWWNJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-11(2)12(7-10)8-17-9-13(16)14-15(3)4/h5-7H,8-9H2,1-4H3,(H,14,16).
What are the key properties of 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide?
2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116847844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).