2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide

C19H19N3O3 — CID 9019849

IUPAC2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-22(2)19(24)12-21-18(23)13-25-17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10H,12-13H2,1-2H3,(H,21,23)
InChIKeyXDYFXMHAPLCVAS-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.81
Rot. Bonds6

About 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide

2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide (PubChem CID 9019849) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
PubChem CID9019849
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-22(2)19(24)12-21-18(23)13-25-17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10H,12-13H2,1-2H3,(H,21,23)
InChIKeyXDYFXMHAPLCVAS-UHFFFAOYSA-N
XLogP1.81
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46788172
2-[4-(4-cyanophenyl)phenoxy]-N-hexadecylacetamide
CID 3468682
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]butanoate
CID 9019829
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115665013
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-2-(4-cyanophenoxy)acetamide
CID 95167799
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide (CID 9019849) is 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is XDYFXMHAPLCVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22(2)19(24)12-21-18(23)13-25-17-9-7-16(8-10-17)15-5-3-14(11-20)4-6-15/h3-10H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide?
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 337.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 9019849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).