[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

C22H26N2O5 — CID 8701080

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O5/c1-15(25)23-16-9-11-17(12-10-16)24-20(26)13-29-21(27)14-28-19-8-6-5-7-18(19)22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYAVWSMNYWWGWBZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.50
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 8701080) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
PubChem CID8701080
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O5/c1-15(25)23-16-9-11-17(12-10-16)24-20(26)13-29-21(27)14-28-19-8-6-5-7-18(19)22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYAVWSMNYWWGWBZ-UHFFFAOYSA-N
XLogP3.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701125
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701075
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701050
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701014
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789063
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701384
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
N-(6-amino-3-pyridinyl)-2-(2-tert-butylphenoxy)acetamide;hydrochloride
CID 119515831
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate (CID 8701080) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)COc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is YAVWSMNYWWGWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(25)23-16-9-11-17(12-10-16)24-20(26)13-29-21(27)14-28-19-8-6-5-7-18(19)22(2,3)4/h5-12H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 398.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 8701080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).