2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide

C17H16N2O2 — CID 2711808

IUPAC2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(15-5-3-2-4-6-15)19-17(20)12-21-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyLZKGCWBCORYPAD-ZDUSSCGKSA-N
MW280.33 g/mol
LogP2.81
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide

2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 2711808) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID2711808
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(15-5-3-2-4-6-15)19-17(20)12-21-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyLZKGCWBCORYPAD-ZDUSSCGKSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856270
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide (CID 2711808) is 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is LZKGCWBCORYPAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(15-5-3-2-4-6-15)19-17(20)12-21-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.81, 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-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 2711808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).