propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate

C20H19NO5 — CID 166197032

IUPACpropyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate
SMILESCCCOC(=O)C(OC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C20H19NO5/c1-2-12-24-20(23)19(15-8-4-3-5-9-15)26-18(22)14-25-17-11-7-6-10-16(17)13-21/h3-11,19H,2,12,14H2,1H3
InChIKeyKBEWCGMXDTTWIO-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.17
Rot. Bonds8

About propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate

propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate (PubChem CID 166197032) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate.

Molecular Properties

Compound Namepropyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate
PubChem CID166197032
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namepropyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate
SMILESCCCOC(=O)C(OC(=O)COc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C20H19NO5/c1-2-12-24-20(23)19(15-8-4-3-5-9-15)26-18(22)14-25-17-11-7-6-10-16(17)13-21/h3-11,19H,2,12,14H2,1H3
InChIKeyKBEWCGMXDTTWIO-UHFFFAOYSA-N
XLogP3.17
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 4985443
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9275983
N'-[2-(2-cyanophenoxy)acetyl]-2-phenylpentanehydrazide
CID 78610851
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
CID 23990439
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(2-cyanophenoxy)acetate
CID 9318151
2-(4-bromophenoxy)ethyl 2-(2-cyanophenoxy)acetate
CID 5157720
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 9274527

Frequently Asked Questions

What is the IUPAC name of propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate?
The IUPAC name of propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate (CID 166197032) is propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate.
What is the SMILES notation for propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate?
The canonical SMILES for propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate is CCCOC(=O)C(OC(=O)COc1ccccc1C#N)c1ccccc1.
What is the InChIKey of propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate?
The InChIKey is KBEWCGMXDTTWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-12-24-20(23)19(15-8-4-3-5-9-15)26-18(22)14-25-17-11-7-6-10-16(17)13-21/h3-11,19H,2,12,14H2,1H3.
What are the key properties of propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate?
propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate has a molecular weight of 353.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-(2-cyanophenoxy)acetyl]oxy-2-phenylacetate is sourced from PubChem (CID 166197032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).