2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide

C18H18N2O2 — CID 16540648

IUPAC2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-14(16-5-3-2-4-6-16)12-20-18(21)13-22-17-9-7-15(11-19)8-10-17/h2-10,14H,12-13H2,1H3,(H,20,21)
InChIKeyVACVONGEVAHOOZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.86
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide

2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide (PubChem CID 16540648) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
PubChem CID16540648
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-14(16-5-3-2-4-6-16)12-20-18(21)13-22-17-9-7-15(11-19)8-10-17/h2-10,14H,12-13H2,1H3,(H,20,21)
InChIKeyVACVONGEVAHOOZ-UHFFFAOYSA-N
XLogP2.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-cyanobenzoate
CID 7716956
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 9140873
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide (CID 16540648) is 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide is CC(CNC(=O)COc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide?
The InChIKey is VACVONGEVAHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(16-5-3-2-4-6-16)12-20-18(21)13-22-17-9-7-15(11-19)8-10-17/h2-10,14H,12-13H2,1H3,(H,20,21).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide?
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 16540648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).