N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide

C20H22Cl2N2O3 — CID 30754679

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
SMILESCC(C)c1ccc(OCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O3/c1-13(2)14-7-9-15(10-8-14)27-12-19(26)24(3)11-18(25)23-20-16(21)5-4-6-17(20)22/h4-10,13H,11-12H2,1-3H3,(H,23,25)
InChIKeyDNCYITJYCQLKRJ-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.59
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide (PubChem CID 30754679) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
PubChem CID30754679
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
SMILESCC(C)c1ccc(OCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O3/c1-13(2)14-7-9-15(10-8-14)27-12-19(26)24(3)11-18(25)23-20-16(21)5-4-6-17(20)22/h4-10,13H,11-12H2,1-3H3,(H,23,25)
InChIKeyDNCYITJYCQLKRJ-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[2-(4-formylphenoxy)acetyl]-methylamino]acetamide
CID 78761861
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
N-(2-chlorophenyl)-2-[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 7571615
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969333
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 37030746
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598708
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide (CID 30754679) is N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide is CC(C)c1ccc(OCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide?
The InChIKey is DNCYITJYCQLKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-13(2)14-7-9-15(10-8-14)27-12-19(26)24(3)11-18(25)23-20-16(21)5-4-6-17(20)22/h4-10,13H,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide has a molecular weight of 409.31 g/mol, XLogP of 4.59, 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-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 30754679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).