[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

C20H21Cl2NO6 — CID 142648888

IUPAC[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCOCCOCOC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H21Cl2NO6/c1-26-9-10-27-13-29-19(25)12-28-18(24)11-14-5-2-3-8-17(14)23-20-15(21)6-4-7-16(20)22/h2-8,23H,9-13H2,1H3
InChIKeyYRCQEIFJPIBHHX-UHFFFAOYSA-N
MW442.30 g/mol
LogP3.99
Rot. Bonds11

About [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 142648888) has the molecular formula C20H21Cl2NO6 and a molecular weight of 442.30 g/mol. Its IUPAC name is [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID142648888
Molecular FormulaC20H21Cl2NO6
Molecular Weight442.30 g/mol
Exact Mass441.07
IUPAC Name[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCOCCOCOC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H21Cl2NO6/c1-26-9-10-27-13-29-19(25)12-28-18(24)11-14-5-2-3-8-17(14)23-20-15(21)6-4-7-16(20)22/h2-8,23H,9-13H2,1H3
InChIKeyYRCQEIFJPIBHHX-UHFFFAOYSA-N
XLogP3.99
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
hydroxymethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;methoxymethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;molecular iodine;triiodide
CID 158388080
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
2-[2-(2,6-dichloroanilino)phenyl]-N-(2-ethoxyethyl)acetamide
CID 126576343
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 142648888) is [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate is COCCOCOC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is YRCQEIFJPIBHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO6/c1-26-9-10-27-13-29-19(25)12-28-18(24)11-14-5-2-3-8-17(14)23-20-15(21)6-4-7-16(20)22/h2-8,23H,9-13H2,1H3.
What are the key properties of [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 442.30 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 142648888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).