2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide

C18H16N2O4 — CID 30873439

IUPAC2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(OCC#N)cc2)cc1
InChIInChI=1S/C18H16N2O4/c1-13(21)14-2-6-17(7-3-14)24-12-18(22)20-15-4-8-16(9-5-15)23-11-10-19/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyFWFURFPLYSEXNH-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.81
Rot. Bonds7

About 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide

2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide (PubChem CID 30873439) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
PubChem CID30873439
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2ccc(OCC#N)cc2)cc1
InChIInChI=1S/C18H16N2O4/c1-13(21)14-2-6-17(7-3-14)24-12-18(22)20-15-4-8-16(9-5-15)23-11-10-19/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyFWFURFPLYSEXNH-UHFFFAOYSA-N
XLogP2.81
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide (CID 30873439) is 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide is CC(=O)c1ccc(OCC(=O)Nc2ccc(OCC#N)cc2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide?
The InChIKey is FWFURFPLYSEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-13(21)14-2-6-17(7-3-14)24-12-18(22)20-15-4-8-16(9-5-15)23-11-10-19/h2-9H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide?
2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[4-(cyanomethoxy)phenyl]acetamide is sourced from PubChem (CID 30873439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).