N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide

C17H16N2O2 — CID 78916774

IUPACN-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1O
InChIInChI=1S/C17H16N2O2/c1-19(12-14-6-4-5-13(9-14)11-18)17(21)10-15-7-2-3-8-16(15)20/h2-9,20H,10,12H2,1H3
InChIKeyJJZPHMYBRAKPPF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide

N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide (PubChem CID 78916774) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
PubChem CID78916774
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1O
InChIInChI=1S/C17H16N2O2/c1-19(12-14-6-4-5-13(9-14)11-18)17(21)10-15-7-2-3-8-16(15)20/h2-9,20H,10,12H2,1H3
InChIKeyJJZPHMYBRAKPPF-UHFFFAOYSA-N
XLogP2.46
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 47024081
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methyl-2-phenylacetamide
CID 104897437
2-[(3-cyanophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86931089
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
methyl 2-[(3-cyanophenyl)methyl-methylamino]-2-oxoacetate
CID 112617191
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829715
N-[(3-cyanophenyl)methyl]-2-[(4-cyanophenyl)methylsulfonyl]-N-methylacetamide
CID 55761221
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide (CID 78916774) is N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide is CN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1O.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
The InChIKey is JJZPHMYBRAKPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(12-14-6-4-5-13(9-14)11-18)17(21)10-15-7-2-3-8-16(15)20/h2-9,20H,10,12H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide?
N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide has a molecular weight of 280.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(2-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 78916774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).