N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide

C23H20N2O2 — CID 55312855

IUPACN-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
SMILESN#CCc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c24-15-14-18-10-12-21(13-11-18)27-17-23(26)25-22-9-5-4-8-20(22)16-19-6-2-1-3-7-19/h1-13H,14,16-17H2,(H,25,26)
InChIKeyKTXVUZGXNXGCBN-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.36
Rot. Bonds7

About N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide

N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide (PubChem CID 55312855) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
PubChem CID55312855
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
SMILESN#CCc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c24-15-14-18-10-12-21(13-11-18)27-17-23(26)25-22-9-5-4-8-20(22)16-19-6-2-1-3-7-19/h1-13H,14,16-17H2,(H,25,26)
InChIKeyKTXVUZGXNXGCBN-UHFFFAOYSA-N
XLogP4.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196
2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
CID 47078845
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55848331
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
[2-(2-benzylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840497
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 48541562
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
N-(2-benzylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 7787717

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide (CID 55312855) is N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide is N#CCc1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide?
The InChIKey is KTXVUZGXNXGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c24-15-14-18-10-12-21(13-11-18)27-17-23(26)25-22-9-5-4-8-20(22)16-19-6-2-1-3-7-19/h1-13H,14,16-17H2,(H,25,26).
What are the key properties of N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide?
N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide has a molecular weight of 356.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide is sourced from PubChem (CID 55312855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).