[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

C20H20ClNO5 — CID 8806352

IUPAC[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClNO5/c1-14(23)16-5-7-18(8-6-16)26-13-20(25)27-12-19(24)22-10-9-15-3-2-4-17(21)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyGZLNOWFZYVQVLX-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.82
Rot. Bonds9

About [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 8806352) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID8806352
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClNO5/c1-14(23)16-5-7-18(8-6-16)26-13-20(25)27-12-19(24)22-10-9-15-3-2-4-17(21)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyGZLNOWFZYVQVLX-UHFFFAOYSA-N
XLogP2.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229427
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8564969
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229357
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
CID 8840794
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228958
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8806365
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 8806352) is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is GZLNOWFZYVQVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-14(23)16-5-7-18(8-6-16)26-13-20(25)27-12-19(24)22-10-9-15-3-2-4-17(21)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 389.84 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8806352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).