[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate

C15H17ClN2O5 — CID 8759598

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O5/c1-10(2)7-15(21)23-9-14(20)18-17-13(19)8-22-12-5-3-11(16)4-6-12/h3-7H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeySYMZUDYBZCPNOH-UHFFFAOYSA-N
MW340.76 g/mol
LogP1.38
Rot. Bonds6

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate (PubChem CID 8759598) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate
PubChem CID8759598
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O5/c1-10(2)7-15(21)23-9-14(20)18-17-13(19)8-22-12-5-3-11(16)4-6-12/h3-7H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeySYMZUDYBZCPNOH-UHFFFAOYSA-N
XLogP1.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187358
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 31467291
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567101
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7485463
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504646
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759291

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate (CID 8759598) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate is CC(C)=CC(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate?
The InChIKey is SYMZUDYBZCPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c1-10(2)7-15(21)23-9-14(20)18-17-13(19)8-22-12-5-3-11(16)4-6-12/h3-7H,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate has a molecular weight of 340.76 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate is sourced from PubChem (CID 8759598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).