N'-acetyl-2-(3-ethylphenoxy)acetohydrazide

C12H16N2O3 — CID 43011736

IUPACN'-acetyl-2-(3-ethylphenoxy)acetohydrazide
SMILESCCc1cccc(OCC(=O)NNC(C)=O)c1
InChIInChI=1S/C12H16N2O3/c1-3-10-5-4-6-11(7-10)17-8-12(16)14-13-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCSOUUFFOVUBLBN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.80
Rot. Bonds4

About N'-acetyl-2-(3-ethylphenoxy)acetohydrazide

N'-acetyl-2-(3-ethylphenoxy)acetohydrazide (PubChem CID 43011736) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-acetyl-2-(3-ethylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3-ethylphenoxy)acetohydrazide
PubChem CID43011736
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-acetyl-2-(3-ethylphenoxy)acetohydrazide
SMILESCCc1cccc(OCC(=O)NNC(C)=O)c1
InChIInChI=1S/C12H16N2O3/c1-3-10-5-4-6-11(7-10)17-8-12(16)14-13-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCSOUUFFOVUBLBN-UHFFFAOYSA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.80
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-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
(2R)-N'-[2-(3-ethylphenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368194
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
N'-[2-(4-ethylphenoxy)acetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 2600997
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-(3-ethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643579
2-[1-[[2-(3-ethylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844002
2-(3-ethylphenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62366654
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3-ethylphenoxy)acetohydrazide?
The IUPAC name of N'-acetyl-2-(3-ethylphenoxy)acetohydrazide (CID 43011736) is N'-acetyl-2-(3-ethylphenoxy)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3-ethylphenoxy)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(3-ethylphenoxy)acetohydrazide is CCc1cccc(OCC(=O)NNC(C)=O)c1.
What is the InChIKey of N'-acetyl-2-(3-ethylphenoxy)acetohydrazide?
The InChIKey is CSOUUFFOVUBLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-10-5-4-6-11(7-10)17-8-12(16)14-13-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-2-(3-ethylphenoxy)acetohydrazide?
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3-ethylphenoxy)acetohydrazide is sourced from PubChem (CID 43011736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).