2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide

C22H20N2O3 — CID 112758991

IUPAC2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C22H20N2O3/c1-16(20-9-5-6-14-23-20)24-21(25)15-27-19-12-10-18(11-13-19)22(26)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyUEVOHMYYEABYRG-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.57
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide

2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 112758991) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID112758991
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C22H20N2O3/c1-16(20-9-5-6-14-23-20)24-21(25)15-27-19-12-10-18(11-13-19)22(26)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,25)
InChIKeyUEVOHMYYEABYRG-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 37019385
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7717900
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9048431

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide (CID 112758991) is 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide is CC(NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccn1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is UEVOHMYYEABYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(20-9-5-6-14-23-20)24-21(25)15-27-19-12-10-18(11-13-19)22(26)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,25).
What are the key properties of 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide?
2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 112758991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).