2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

C16H18N2O2 — CID 21366996

IUPAC2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-5-3-7-15(9-12)20-13(2)16(19)18-11-14-6-4-8-17-10-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyZZWNJURGCUVTAT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.47
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide

2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 21366996) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID21366996
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-12-5-3-7-15(9-12)20-13(2)16(19)18-11-14-6-4-8-17-10-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyZZWNJURGCUVTAT-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

(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
2-(3-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 6471992
dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
CID 9194529

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 21366996) is 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is Cc1cccc(OC(C)C(=O)NCc2cccnc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ZZWNJURGCUVTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-5-3-7-15(9-12)20-13(2)16(19)18-11-14-6-4-8-17-10-14/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide?
2-(3-methylphenoxy)-N-(pyridin-3-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-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 21366996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).