[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate

C21H25NO4 — CID 9272615

IUPAC[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-9-11-17(12-10-16)25-14-21(24)26-13-20(23)22-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyAKLABYOEGRUWOJ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.93
Rot. Bonds8

About [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 9272615) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate
PubChem CID9272615
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-9-11-17(12-10-16)25-14-21(24)26-13-20(23)22-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyAKLABYOEGRUWOJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)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

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328142
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
[2-(2-benzoylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844686
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-butoxybenzoate
CID 8863539
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272649
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671847
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-bromophenyl)acetate
CID 2378757
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853854
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-hexoxybenzoate
CID 7574753

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate (CID 9272615) is [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is AKLABYOEGRUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-9-11-17(12-10-16)25-14-21(24)26-13-20(23)22-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate?
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 355.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 9272615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).