2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide

C22H18N2O2 — CID 20985387

IUPAC2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O2/c23-15-14-22(25)24-16-17-6-10-20(11-7-17)26-21-12-8-19(9-13-21)18-4-2-1-3-5-18/h1-13H,14,16H2,(H,24,25)
InChIKeyDVVUXHILWMHSNO-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.68
Rot. Bonds6

About 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide

2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide (PubChem CID 20985387) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
PubChem CID20985387
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N2O2/c23-15-14-22(25)24-16-17-6-10-20(11-7-17)26-21-12-8-19(9-13-21)18-4-2-1-3-5-18/h1-13H,14,16H2,(H,24,25)
InChIKeyDVVUXHILWMHSNO-UHFFFAOYSA-N
XLogP4.68
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
N-[(4-phenoxyphenyl)methyl]butanamide
CID 155214759
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-cyano-N-[(4-formylphenyl)methyl]acetamide
CID 88911411

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide (CID 20985387) is 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide is N#CCC(=O)NCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide?
The InChIKey is DVVUXHILWMHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c23-15-14-22(25)24-16-17-6-10-20(11-7-17)26-21-12-8-19(9-13-21)18-4-2-1-3-5-18/h1-13H,14,16H2,(H,24,25).
What are the key properties of 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide?
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 20985387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).