2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide

C12H18N2O4 — CID 116820842

IUPAC2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
SMILESCOc1cc(OC)cc(OCC(=O)NN(C)C)c1
InChIInChI=1S/C12H18N2O4/c1-14(2)13-12(15)8-18-11-6-9(16-3)5-10(7-11)17-4/h5-7H,8H2,1-4H3,(H,13,15)
InChIKeyQVRSSHZTYJNEIR-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.68
Rot. Bonds6

About 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide

2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide (PubChem CID 116820842) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
PubChem CID116820842
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
SMILESCOc1cc(OC)cc(OCC(=O)NN(C)C)c1
InChIInChI=1S/C12H18N2O4/c1-14(2)13-12(15)8-18-11-6-9(16-3)5-10(7-11)17-4/h5-7H,8H2,1-4H3,(H,13,15)
InChIKeyQVRSSHZTYJNEIR-UHFFFAOYSA-N
XLogP0.68
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
2-(3,5-dimethoxyphenoxy)-N-(4-phenylphenyl)acetamide
CID 7713896
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide (CID 116820842) is 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide is COc1cc(OC)cc(OCC(=O)NN(C)C)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide?
The InChIKey is QVRSSHZTYJNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-14(2)13-12(15)8-18-11-6-9(16-3)5-10(7-11)17-4/h5-7H,8H2,1-4H3,(H,13,15).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide?
2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide has a molecular weight of 254.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 116820842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).