(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide

C20H23FN2O3 — CID 94628652

IUPAC(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N(Cc1cccnc1)C[C@H]1CCCO1
InChIInChI=1S/C20H23FN2O3/c1-15(26-18-7-2-6-17(21)11-18)20(24)23(14-19-8-4-10-25-19)13-16-5-3-9-22-12-16/h2-3,5-7,9,11-12,15,19H,4,8,10,13-14H2,1H3/t15-,19+/m0/s1
InChIKeyOSIBNJMLEFXDLS-HNAYVOBHSA-N
MW358.41 g/mol
LogP3.20
Rot. Bonds7

About (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 94628652) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID94628652
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](Oc1cccc(F)c1)C(=O)N(Cc1cccnc1)C[C@H]1CCCO1
InChIInChI=1S/C20H23FN2O3/c1-15(26-18-7-2-6-17(21)11-18)20(24)23(14-19-8-4-10-25-19)13-16-5-3-9-22-12-16/h2-3,5-7,9,11-12,15,19H,4,8,10,13-14H2,1H3/t15-,19+/m0/s1
InChIKeyOSIBNJMLEFXDLS-HNAYVOBHSA-N
XLogP3.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(3-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 55900794
(2S)-N-[(3-fluorophenyl)methyl]-2-imidazol-1-yl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94364637
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
2-fluoro-6-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 99582902
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
1-[(3-fluorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylthiourea
CID 28947634
2-(3-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 60589374
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
3-[(2-fluorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 47065691
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55835045
1-tert-butyl-N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 55900542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide (CID 94628652) is (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide is C[C@H](Oc1cccc(F)c1)C(=O)N(Cc1cccnc1)C[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is OSIBNJMLEFXDLS-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(26-18-7-2-6-17(21)11-18)20(24)23(14-19-8-4-10-25-19)13-16-5-3-9-22-12-16/h2-3,5-7,9,11-12,15,19H,4,8,10,13-14H2,1H3/t15-,19+/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 358.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 94628652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).