ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate

C19H21NO4 — CID 86073966

IUPACethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OCc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C19H21NO4/c1-3-23-19(22)11-16-9-10-17(12-18(16)20-14(2)21)24-13-15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyZEEVHHYXBUUSES-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.33
Rot. Bonds7

About ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate

ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate (PubChem CID 86073966) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
PubChem CID86073966
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)Cc1ccc(OCc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C19H21NO4/c1-3-23-19(22)11-16-9-10-17(12-18(16)20-14(2)21)24-13-15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyZEEVHHYXBUUSES-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
CID 59509332
ethyl 2-(6-phenylmethoxy-1-benzofuran-3-yl)acetate
CID 91423659
ethyl 2-[2,4-diacetamido-5-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 2749627
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
[4-ethyl-3-(phenylmethoxycarbonylamino)phenyl] acetate
CID 67136159
ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
CID 141184311
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate (CID 86073966) is ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate is CCOC(=O)Cc1ccc(OCc2ccccc2)cc1NC(C)=O.
What is the InChIKey of ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate?
The InChIKey is ZEEVHHYXBUUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-23-19(22)11-16-9-10-17(12-18(16)20-14(2)21)24-13-15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate?
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate has a molecular weight of 327.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 86073966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).