2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide

C16H18N2O2 — CID 6490042

IUPAC2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-3-5-15(6-4-12)20-13(2)16(19)18-11-14-7-9-17-10-8-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyHHNINUYWQBWDOO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide

2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 6490042) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID6490042
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-3-5-15(6-4-12)20-13(2)16(19)18-11-14-7-9-17-10-8-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyHHNINUYWQBWDOO-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-(4-methylphenoxy)-N-[[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-4-pyridinyl]methyl]propanamide
CID 97352244
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
CID 24509083
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide (CID 6490042) is 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide is Cc1ccc(OC(C)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is HHNINUYWQBWDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-3-5-15(6-4-12)20-13(2)16(19)18-11-14-7-9-17-10-8-14/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 6490042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).