ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate

C15H19Cl2NO4 — CID 19778946

IUPACethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-3-22-15(20)10-18(7-8-21-2)14(19)9-11-12(16)5-4-6-13(11)17/h4-6H,3,7-10H2,1-2H3
InChIKeyFHIWNLBWFWDDLV-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.57
Rot. Bonds8

About ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate (PubChem CID 19778946) has the molecular formula C15H19Cl2NO4 and a molecular weight of 348.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate
PubChem CID19778946
Molecular FormulaC15H19Cl2NO4
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Nameethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO4/c1-3-22-15(20)10-18(7-8-21-2)14(19)9-11-12(16)5-4-6-13(11)17/h4-6H,3,7-10H2,1-2H3
InChIKeyFHIWNLBWFWDDLV-UHFFFAOYSA-N
XLogP2.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate (CID 19778946) is ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is FHIWNLBWFWDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4/c1-3-22-15(20)10-18(7-8-21-2)14(19)9-11-12(16)5-4-6-13(11)17/h4-6H,3,7-10H2,1-2H3.
What are the key properties of ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 348.23 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 19778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).