2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide

C16H18N2O3 — CID 112977719

IUPAC2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1cccc(OCC(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H18N2O3/c1-2-20-14-4-3-5-15(10-14)21-12-16(19)18-11-13-6-8-17-9-7-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyBDQAMZZEGLYSOM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.18
Rot. Bonds7

About 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide

2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 112977719) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID112977719
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1cccc(OCC(=O)NCc2ccncc2)c1
InChIInChI=1S/C16H18N2O3/c1-2-20-14-4-3-5-15(10-14)21-12-16(19)18-11-13-6-8-17-9-7-13/h3-10H,2,11-12H2,1H3,(H,18,19)
InChIKeyBDQAMZZEGLYSOM-UHFFFAOYSA-N
XLogP2.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
CID 94614124

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide (CID 112977719) is 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide is CCOc1cccc(OCC(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BDQAMZZEGLYSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-14-4-3-5-15(10-14)21-12-16(19)18-11-13-6-8-17-9-7-13/h3-10H,2,11-12H2,1H3,(H,18,19).
What are the key properties of 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide?
2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 112977719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).