2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C17H20N2O2 — CID 28721742

IUPAC2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-4-6-16(7-5-14)21-12-17(20)19-13(2)15-8-10-18-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyZIQDRZGYGHAAHU-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.90
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 28721742) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID28721742
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCCc1ccc(OCC(=O)N[C@@H](C)c2ccncc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-14-4-6-16(7-5-14)21-12-17(20)19-13(2)15-8-10-18-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyZIQDRZGYGHAAHU-ZDUSSCGKSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 18160473
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919
2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 35891231
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272330

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 28721742) is 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is CCc1ccc(OCC(=O)N[C@@H](C)c2ccncc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is ZIQDRZGYGHAAHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-14-4-6-16(7-5-14)21-12-17(20)19-13(2)15-8-10-18-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 28721742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).