(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide

C15H16N2O2 — CID 670240

IUPAC(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-8-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyATNHDXGDUFLBMB-LBPRGKRZSA-N
MW256.31 g/mol
LogP2.17
Rot. Bonds5

About (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 670240) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
PubChem CID670240
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-8-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyATNHDXGDUFLBMB-LBPRGKRZSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2S)-2-phenoxy-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]propanamide
CID 129354694
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide (CID 670240) is (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide is C[C@H](Oc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ATNHDXGDUFLBMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-8-13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 256.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 670240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).