2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide

C22H24Cl2N4O3 — CID 38508585

IUPAC2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H24Cl2N4O3/c1-3-31-17-10-8-16(9-11-17)28(13-5-12-25)21(30)15-27(2)14-20(29)26-22-18(23)6-4-7-19(22)24/h4,6-11H,3,5,13-15H2,1-2H3,(H,26,29)
InChIKeyCLYHIQULKNDYBA-UHFFFAOYSA-N
MW463.37 g/mol
LogP4.21
Rot. Bonds10

About 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide

2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 38508585) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID38508585
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCCOc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H24Cl2N4O3/c1-3-31-17-10-8-16(9-11-17)28(13-5-12-25)21(30)15-27(2)14-20(29)26-22-18(23)6-4-7-19(22)24/h4,6-11H,3,5,13-15H2,1-2H3,(H,26,29)
InChIKeyCLYHIQULKNDYBA-UHFFFAOYSA-N
XLogP4.21
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243399
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide
CID 38508447
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 42967329
N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916
N-(2-cyanoethyl)-2-[cyclopentyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)acetamide
CID 56569940
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16509003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide (CID 38508585) is 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide is CCOc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is CLYHIQULKNDYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c1-3-31-17-10-8-16(9-11-17)28(13-5-12-25)21(30)15-27(2)14-20(29)26-22-18(23)6-4-7-19(22)24/h4,6-11H,3,5,13-15H2,1-2H3,(H,26,29).
What are the key properties of 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide?
2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 463.37 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 38508585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).