2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide

C17H16N2O2 — CID 8781293

IUPAC2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-13-2-4-15(5-3-13)11-19-17(20)12-21-16-8-6-14(10-18)7-9-16/h2-9H,11-12H2,1H3,(H,19,20)
InChIKeyXMVGBGQMOTYJTI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide

2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 8781293) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID8781293
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-13-2-4-15(5-3-13)11-19-17(20)12-21-16-8-6-14(10-18)7-9-16/h2-9H,11-12H2,1H3,(H,19,20)
InChIKeyXMVGBGQMOTYJTI-UHFFFAOYSA-N
XLogP2.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide (CID 8781293) is 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is XMVGBGQMOTYJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-2-4-15(5-3-13)11-19-17(20)12-21-16-8-6-14(10-18)7-9-16/h2-9H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8781293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).