[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C22H20ClNO5 — CID 9491672

IUPAC[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2ccccc2c1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO5/c23-18-6-9-19(10-7-18)27-12-11-24-21(25)14-29-22(26)15-28-20-8-5-16-3-1-2-4-17(16)13-20/h1-10,13H,11-12,14-15H2,(H,24,25)
InChIKeyKKPPHBLHMWDZEQ-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.61
Rot. Bonds9

About [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 9491672) has the molecular formula C22H20ClNO5 and a molecular weight of 413.86 g/mol. Its IUPAC name is [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID9491672
Molecular FormulaC22H20ClNO5
Molecular Weight413.86 g/mol
Exact Mass413.10
IUPAC Name[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2ccccc2c1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO5/c23-18-6-9-19(10-7-18)27-12-11-24-21(25)14-29-22(26)15-28-20-8-5-16-3-1-2-4-17(16)13-20/h1-10,13H,11-12,14-15H2,(H,24,25)
InChIKeyKKPPHBLHMWDZEQ-UHFFFAOYSA-N
XLogP3.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.61
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-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8642931
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
CID 3935127

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 9491672) is [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate is O=C(COC(=O)COc1ccc2ccccc2c1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is KKPPHBLHMWDZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5/c23-18-6-9-19(10-7-18)27-12-11-24-21(25)14-29-22(26)15-28-20-8-5-16-3-1-2-4-17(16)13-20/h1-10,13H,11-12,14-15H2,(H,24,25).
What are the key properties of [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 413.86 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 9491672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).