2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide

C13H20N2O3 — CID 116846743

IUPAC2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
SMILESCCc1ccc(OC)c(COCC(=O)NNC)c1
InChIInChI=1S/C13H20N2O3/c1-4-10-5-6-12(17-3)11(7-10)8-18-9-13(16)15-14-2/h5-7,14H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyJNYSGIDIYUANQM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.02
Rot. Bonds7

About 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide

2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide (PubChem CID 116846743) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
PubChem CID116846743
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
SMILESCCc1ccc(OC)c(COCC(=O)NNC)c1
InChIInChI=1S/C13H20N2O3/c1-4-10-5-6-12(17-3)11(7-10)8-18-9-13(16)15-14-2/h5-7,14H,4,8-9H2,1-3H3,(H,15,16)
InChIKeyJNYSGIDIYUANQM-UHFFFAOYSA-N
XLogP1.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
2-[(2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846802
2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846729
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
N-(cyanomethyl)-2-(5-ethyl-2-methoxyphenyl)acetamide
CID 96660374
2-[(3,4-dimethylphenyl)methoxy]-N'-methylacetohydrazide
CID 116846700
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
N-[(5-ethyl-2-methoxyphenyl)methyl]pentanamide
CID 110781781
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
2-[(5-ethyl-2-methoxyphenyl)methyl]prop-2-enoic acid
CID 116866222
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
The IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide (CID 116846743) is 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide.
What is the SMILES notation for 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
The canonical SMILES for 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide is CCc1ccc(OC)c(COCC(=O)NNC)c1.
What is the InChIKey of 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
The InChIKey is JNYSGIDIYUANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-10-5-6-12(17-3)11(7-10)8-18-9-13(16)15-14-2/h5-7,14H,4,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide is sourced from PubChem (CID 116846743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).