2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C20H21N3O3 — CID 9437513

IUPAC2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccccc1C#N
InChIInChI=1S/C20H21N3O3/c1-14-7-6-8-15(2)20(14)22-18(24)12-23(3)19(25)13-26-17-10-5-4-9-16(17)11-21/h4-10H,12-13H2,1-3H3,(H,22,24)
InChIKeyDRNWIKCJKNIOQD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.65
Rot. Bonds6

About 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9437513) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID9437513
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccccc1C#N
InChIInChI=1S/C20H21N3O3/c1-14-7-6-8-15(2)20(14)22-18(24)12-23(3)19(25)13-26-17-10-5-4-9-16(17)11-21/h4-10H,12-13H2,1-3H3,(H,22,24)
InChIKeyDRNWIKCJKNIOQD-UHFFFAOYSA-N
XLogP2.65
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26619648
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 9438071
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478596
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 9437513) is 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is DRNWIKCJKNIOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-6-8-15(2)20(14)22-18(24)12-23(3)19(25)13-26-17-10-5-4-9-16(17)11-21/h4-10H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9437513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).