2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide

C22H20N2O3 — CID 166405139

IUPAC2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccccc1C=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C22H20N2O3/c1-16(17-6-8-18(9-7-17)19-10-12-23-13-11-19)24-22(26)15-27-21-5-3-2-4-20(21)14-25/h2-14,16H,15H2,1H3,(H,24,26)
InChIKeyZVAYDZNGHZTNQN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.82
Rot. Bonds7

About 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide

2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide (PubChem CID 166405139) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
PubChem CID166405139
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccccc1C=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C22H20N2O3/c1-16(17-6-8-18(9-7-17)19-10-12-23-13-11-19)24-22(26)15-27-21-5-3-2-4-20(21)14-25/h2-14,16H,15H2,1H3,(H,24,26)
InChIKeyZVAYDZNGHZTNQN-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide
CID 7762560
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 40585349
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-formylphenoxy)acetate
CID 8608475
2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
CID 78801691
2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide (CID 166405139) is 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide is CC(NC(=O)COc1ccccc1C=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide?
The InChIKey is ZVAYDZNGHZTNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(17-6-8-18(9-7-17)19-10-12-23-13-11-19)24-22(26)15-27-21-5-3-2-4-20(21)14-25/h2-14,16H,15H2,1H3,(H,24,26).
What are the key properties of 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide?
2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 166405139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).