2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C18H18N2O4 — CID 2565300

IUPAC2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2C#N)cc1OC
InChIInChI=1S/C18H18N2O4/c1-22-16-8-7-13(9-17(16)23-2)11-20-18(21)12-24-15-6-4-3-5-14(15)10-19/h3-9H,11-12H2,1-2H3,(H,20,21)
InChIKeyGDEGQZQMIAFYQP-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.27
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 2565300) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID2565300
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2C#N)cc1OC
InChIInChI=1S/C18H18N2O4/c1-22-16-8-7-13(9-17(16)23-2)11-20-18(21)12-24-15-6-4-3-5-14(15)10-19/h3-9H,11-12H2,1-2H3,(H,20,21)
InChIKeyGDEGQZQMIAFYQP-UHFFFAOYSA-N
XLogP2.27
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261449
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
N'-[2-(2-cyanophenoxy)acetyl]-2-(2-methoxy-5-methylphenyl)acetohydrazide
CID 9376079
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103883525
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 2565300) is 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccccc2C#N)cc1OC.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is GDEGQZQMIAFYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-16-8-7-13(9-17(16)23-2)11-20-18(21)12-24-15-6-4-3-5-14(15)10-19/h3-9H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2565300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).