2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate

C20H23NO5 — CID 8610737

IUPAC2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
SMILESCCOc1ccc(OCCOC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-24-18-8-10-19(11-9-18)25-12-13-26-20(23)14-16-4-6-17(7-5-16)21-15(2)22/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyXVTZEFKQJMUHJG-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds9

About 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate

2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate (PubChem CID 8610737) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
PubChem CID8610737
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
SMILESCCOc1ccc(OCCOC(=O)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-24-18-8-10-19(11-9-18)25-12-13-26-20(23)14-16-4-6-17(7-5-16)21-15(2)22/h4-11H,3,12-14H2,1-2H3,(H,21,22)
InChIKeyXVTZEFKQJMUHJG-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
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

N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
2-(4-acetamidophenoxy)ethyl 2-methylprop-2-enoate
CID 70603305
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 16506936
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate (CID 8610737) is 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate is CCOc1ccc(OCCOC(=O)Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate?
The InChIKey is XVTZEFKQJMUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-24-18-8-10-19(11-9-18)25-12-13-26-20(23)14-16-4-6-17(7-5-16)21-15(2)22/h4-11H,3,12-14H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate?
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate has a molecular weight of 357.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8610737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).