3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide

C14H20N2O2 — CID 47026334

IUPAC3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCC1CCCO1)NCCc1ccccn1
InChIInChI=1S/C14H20N2O2/c17-14(7-6-13-5-3-11-18-13)16-10-8-12-4-1-2-9-15-12/h1-2,4,9,13H,3,5-8,10-11H2,(H,16,17)
InChIKeyAVORHMMURGAPKP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds6

About 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide

3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 47026334) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID47026334
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CCC1CCCO1)NCCc1ccccn1
InChIInChI=1S/C14H20N2O2/c17-14(7-6-13-5-3-11-18-13)16-10-8-12-4-1-2-9-15-12/h1-2,4,9,13H,3,5-8,10-11H2,(H,16,17)
InChIKeyAVORHMMURGAPKP-UHFFFAOYSA-N
XLogP1.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 47026334) is 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CCC1CCCO1)NCCc1ccccn1.
What is the InChIKey of 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is AVORHMMURGAPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(7-6-13-5-3-11-18-13)16-10-8-12-4-1-2-9-15-12/h1-2,4,9,13H,3,5-8,10-11H2,(H,16,17).
What are the key properties of 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 47026334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).