2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate

C19H19Cl2NO5 — CID 7884828

IUPAC2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCCOc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO5/c1-2-25-14-8-6-13(7-9-14)19(24)22-12-17(23)26-10-11-27-18-15(20)4-3-5-16(18)21/h3-9H,2,10-12H2,1H3,(H,22,24)
InChIKeyJBXKETRNPCXYLO-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.74
Rot. Bonds9

About 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate

2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884828) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884828
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCCOc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO5/c1-2-25-14-8-6-13(7-9-14)19(24)22-12-17(23)26-10-11-27-18-15(20)4-3-5-16(18)21/h3-9H,2,10-12H2,1H3,(H,22,24)
InChIKeyJBXKETRNPCXYLO-UHFFFAOYSA-N
XLogP3.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
(4-oxo-4-phenylbutyl) 2-[(4-ethoxybenzoyl)amino]acetate
CID 42965639
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269466
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884828) is 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCCOc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is JBXKETRNPCXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-2-25-14-8-6-13(7-9-14)19(24)22-12-17(23)26-10-11-27-18-15(20)4-3-5-16(18)21/h3-9H,2,10-12H2,1H3,(H,22,24).
What are the key properties of 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate?
2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 412.27 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).