3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide

C16H18N2O3 — CID 110678375

IUPAC3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(OCCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-14-2-4-15(5-3-14)21-11-8-16(19)18-12-13-6-9-17-10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,18,19)
InChIKeyPTJGQQYTWGJEII-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.18
Rot. Bonds7

About 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide

3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110678375) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110678375
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(OCCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O3/c1-20-14-2-4-15(5-3-14)21-11-8-16(19)18-12-13-6-9-17-10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,18,19)
InChIKeyPTJGQQYTWGJEII-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-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113122366
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 113152810
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191483
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide (CID 110678375) is 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(OCCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is PTJGQQYTWGJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-2-4-15(5-3-14)21-11-8-16(19)18-12-13-6-9-17-10-7-13/h2-7,9-10H,8,11-12H2,1H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide 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 3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110678375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).