2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide

C21H24ClN3O4 — CID 9017928

IUPAC2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1ccccc1NC(C)=O
InChIInChI=1S/C21H24ClN3O4/c1-4-25(12-20(27)24-18-11-16(22)10-9-14(18)2)21(28)13-29-19-8-6-5-7-17(19)23-15(3)26/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyAJHDYKUWFZBWTO-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.47
Rot. Bonds8

About 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide

2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 9017928) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID9017928
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1ccccc1NC(C)=O
InChIInChI=1S/C21H24ClN3O4/c1-4-25(12-20(27)24-18-11-16(22)10-9-14(18)2)21(28)13-29-19-8-6-5-7-17(19)23-15(3)26/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyAJHDYKUWFZBWTO-UHFFFAOYSA-N
XLogP3.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
2-[[2-(4-chloro-2-nitrophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27267674
N-(5-chloro-2-methylphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78770477
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644595
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-indol-1-ylpropanamide
CID 18112996
(E)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 8960410
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide (CID 9017928) is 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1ccccc1NC(C)=O.
What is the InChIKey of 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is AJHDYKUWFZBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-4-25(12-20(27)24-18-11-16(22)10-9-14(18)2)21(28)13-29-19-8-6-5-7-17(19)23-15(3)26/h5-11H,4,12-13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 417.89 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 9017928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).