ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate

C15H20N2O4 — CID 2308890

IUPACethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate
SMILESC=C(CC(=O)OCC)NNC(=O)COc1ccccc1C
InChIInChI=1S/C15H20N2O4/c1-4-20-15(19)9-12(3)16-17-14(18)10-21-13-8-6-5-7-11(13)2/h5-8,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyKIRINZPANMUACC-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.46
Rot. Bonds8

About ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate

ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate (PubChem CID 2308890) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate
PubChem CID2308890
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate
SMILESC=C(CC(=O)OCC)NNC(=O)COc1ccccc1C
InChIInChI=1S/C15H20N2O4/c1-4-20-15(19)9-12(3)16-17-14(18)10-21-13-8-6-5-7-11(13)2/h5-8,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyKIRINZPANMUACC-UHFFFAOYSA-N
XLogP1.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide
CID 4582933
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-methyl-N'-[2-(2-methylphenoxy)acetyl]thiophene-2-carbohydrazide
CID 7809007
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
(E)-4-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6171221
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate?
The IUPAC name of ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate (CID 2308890) is ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate.
What is the SMILES notation for ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate?
The canonical SMILES for ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate is C=C(CC(=O)OCC)NNC(=O)COc1ccccc1C.
What is the InChIKey of ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate?
The InChIKey is KIRINZPANMUACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-20-15(19)9-12(3)16-17-14(18)10-21-13-8-6-5-7-11(13)2/h5-8,16H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate?
ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate has a molecular weight of 292.34 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]but-3-enoate is sourced from PubChem (CID 2308890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).