2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C20H21N3O3 — CID 26619648

IUPAC2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C20H21N3O3/c1-14-5-4-6-15(2)20(14)22-18(24)12-23(3)19(25)13-26-17-9-7-16(11-21)8-10-17/h4-10H,12-13H2,1-3H3,(H,22,24)
InChIKeyHDZMZORYPNACDW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.65
Rot. Bonds6

About 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 26619648) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID26619648
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C20H21N3O3/c1-14-5-4-6-15(2)20(14)22-18(24)12-23(3)19(25)13-26-17-9-7-16(11-21)8-10-17/h4-10H,12-13H2,1-3H3,(H,22,24)
InChIKeyHDZMZORYPNACDW-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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methyl-4-nitrophenoxy)acetyl]amino]acetamide
CID 8647866
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
2-[[2-(4-iodophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112761998
2-[[4-(cyanomethoxy)phenyl]carbamoyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 55695909
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8695010
2-[4-(4-cyanophenyl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 26218567
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 30754679
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 26619648) is 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is HDZMZORYPNACDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-5-4-6-15(2)20(14)22-18(24)12-23(3)19(25)13-26-17-9-7-16(11-21)8-10-17/h4-10H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-[[2-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-(4-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-(4-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 26619648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).