N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide

C22H25ClN4O3 — CID 24593864

IUPACN-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide
SMILESCCOc1ccccc1-c1noc(CN(CC)CC(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C22H25ClN4O3/c1-4-27(13-20(28)24-18-12-16(23)11-10-15(18)3)14-21-25-22(26-30-21)17-8-6-7-9-19(17)29-5-2/h6-12H,4-5,13-14H2,1-3H3,(H,24,28)
InChIKeyZUELNUALYHEXPF-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.56
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide (PubChem CID 24593864) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide
PubChem CID24593864
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide
SMILESCCOc1ccccc1-c1noc(CN(CC)CC(=O)Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C22H25ClN4O3/c1-4-27(13-20(28)24-18-12-16(23)11-10-15(18)3)14-21-25-22(26-30-21)17-8-6-7-9-19(17)29-5-2/h6-12H,4-5,13-14H2,1-3H3,(H,24,28)
InChIKeyZUELNUALYHEXPF-UHFFFAOYSA-N
XLogP4.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758765
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
N-(2-ethoxyphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2023323
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2985723
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8791765
2-[[2-(2-acetamidophenoxy)acetyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 9017928
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 38176839

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide (CID 24593864) is N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide is CCOc1ccccc1-c1noc(CN(CC)CC(=O)Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide?
The InChIKey is ZUELNUALYHEXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-4-27(13-20(28)24-18-12-16(23)11-10-15(18)3)14-21-25-22(26-30-21)17-8-6-7-9-19(17)29-5-2/h6-12H,4-5,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide has a molecular weight of 428.92 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-ethylamino]acetamide is sourced from PubChem (CID 24593864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).