2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide

C22H22N2O2 — CID 40585349

IUPAC2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccncc1
InChIInChI=1S/C22H22N2O2/c1-17(19-11-13-23-14-12-19)24-22(25)16-26-21-10-6-5-9-20(21)15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyAXUKTGHWYFLLQG-QGZVFWFLSA-N
MW346.43 g/mol
LogP3.93
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide

2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide (PubChem CID 40585349) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
PubChem CID40585349
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccncc1
InChIInChI=1S/C22H22N2O2/c1-17(19-11-13-23-14-12-19)24-22(25)16-26-21-10-6-5-9-20(21)15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyAXUKTGHWYFLLQG-QGZVFWFLSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41103412
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
N'-[2-(2-benzylphenoxy)acetyl]pyridine-4-carbohydrazide
CID 7536084
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
methyl (2S)-2-[[2-(2-benzylphenoxy)acetyl]amino]-3-methylbutanoate
CID 55943159
2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 166405139
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide
CID 43523594
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide (CID 40585349) is 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide is C[C@@H](NC(=O)COc1ccccc1Cc1ccccc1)c1ccncc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is AXUKTGHWYFLLQG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17(19-11-13-23-14-12-19)24-22(25)16-26-21-10-6-5-9-20(21)15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 40585349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).