ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate

C14H18Cl2N2O4 — CID 171770392

IUPACethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
SMILESCCOC(=O)C(C)NN(C)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4/c1-4-21-14(20)9(2)17-18(3)13(19)8-22-12-6-5-10(15)7-11(12)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyGILWIYQCMGDQIF-UHFFFAOYSA-N
MW349.21 g/mol
LogP2.29
Rot. Bonds7

About ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate

ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate (PubChem CID 171770392) has the molecular formula C14H18Cl2N2O4 and a molecular weight of 349.21 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
PubChem CID171770392
Molecular FormulaC14H18Cl2N2O4
Molecular Weight349.21 g/mol
Exact Mass348.06
IUPAC Nameethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate
SMILESCCOC(=O)C(C)NN(C)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4/c1-4-21-14(20)9(2)17-18(3)13(19)8-22-12-6-5-10(15)7-11(12)16/h5-7,9,17H,4,8H2,1-3H3
InChIKeyGILWIYQCMGDQIF-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
CID 17321195
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate?
The IUPAC name of ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate (CID 171770392) is ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate.
What is the SMILES notation for ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate?
The canonical SMILES for ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate is CCOC(=O)C(C)NN(C)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate?
The InChIKey is GILWIYQCMGDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4/c1-4-21-14(20)9(2)17-18(3)13(19)8-22-12-6-5-10(15)7-11(12)16/h5-7,9,17H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate?
ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate has a molecular weight of 349.21 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2,4-dichlorophenoxy)acetyl]-2-methylhydrazinyl]propanoate is sourced from PubChem (CID 171770392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).