2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide

C13H18N2O4 — CID 17140856

IUPAC2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
SMILESCCOCC(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C13H18N2O4/c1-3-18-8-12(16)14-15-13(17)9-19-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFVAVIOHFCJYRSR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.56
Rot. Bonds6

About 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide

2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide (PubChem CID 17140856) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
PubChem CID17140856
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
SMILESCCOCC(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C13H18N2O4/c1-3-18-8-12(16)14-15-13(17)9-19-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFVAVIOHFCJYRSR-UHFFFAOYSA-N
XLogP0.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.56
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

methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 37398686
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
2-ethoxy-N'-(3-methylphenyl)acetohydrazide
CID 142063179
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 51195376
2-(3-methylphenoxy)-N'-(2-phenylsulfanylacetyl)acetohydrazide
CID 40649593
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
1-(3-methylphenoxy)butan-2-one
CID 19100291
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide (CID 17140856) is 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide is CCOCC(=O)NNC(=O)COc1cccc(C)c1.
What is the InChIKey of 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
The InChIKey is FVAVIOHFCJYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-18-8-12(16)14-15-13(17)9-19-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide has a molecular weight of 266.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 17140856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).