N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide

C17H16N2O4 — CID 7713816

IUPACN-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N2O4/c1-21-14-7-15(22-2)9-16(8-14)23-11-17(20)19-13-5-3-4-12(6-13)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyJIFHOTCUKFUUQA-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.59
Rot. Bonds6

About N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide

N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide (PubChem CID 7713816) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
PubChem CID7713816
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C17H16N2O4/c1-21-14-7-15(22-2)9-16(8-14)23-11-17(20)19-13-5-3-4-12(6-13)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyJIFHOTCUKFUUQA-UHFFFAOYSA-N
XLogP2.59
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
[2-(3-cyanoanilino)-2-oxoethyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664840
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
dimethyl 5-[[2-(3-cyanophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2591381

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide (CID 7713816) is N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide is COc1cc(OC)cc(OCC(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
The InChIKey is JIFHOTCUKFUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-14-7-15(22-2)9-16(8-14)23-11-17(20)19-13-5-3-4-12(6-13)10-18/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide?
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide is sourced from PubChem (CID 7713816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).