N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide

C20H22Cl2N2O3 — CID 25314167

IUPACN-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-4-24(11-18(25)23-20-16(21)6-5-7-17(20)22)19(26)12-27-15-9-8-13(2)14(3)10-15/h5-10H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyHIWLIEQKNRAPQT-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.48
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide (PubChem CID 25314167) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
PubChem CID25314167
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-4-24(11-18(25)23-20-16(21)6-5-7-17(20)22)19(26)12-27-15-9-8-13(2)14(3)10-15/h5-10H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyHIWLIEQKNRAPQT-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9094951
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 25314869
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761861
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 27760246
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 30754679
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide (CID 25314167) is N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
The InChIKey is HIWLIEQKNRAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-4-24(11-18(25)23-20-16(21)6-5-7-17(20)22)19(26)12-27-15-9-8-13(2)14(3)10-15/h5-10H,4,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide has a molecular weight of 409.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]acetamide is sourced from PubChem (CID 25314167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).