1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one

C16H20N2O2 — CID 78926173

IUPAC1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN(CCO)Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-13-12-17(14-15-6-2-1-3-7-15)10-11-18-9-5-4-8-16(18)20/h1-9,19H,10-14H2
InChIKeyGUDLOAVHTXPUQN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.34
Rot. Bonds7

About 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one

1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one (PubChem CID 78926173) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one
PubChem CID78926173
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN(CCO)Cc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-13-12-17(14-15-6-2-1-3-7-15)10-11-18-9-5-4-8-16(18)20/h1-9,19H,10-14H2
InChIKeyGUDLOAVHTXPUQN-UHFFFAOYSA-N
XLogP1.34
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one (CID 78926173) is 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCN(CCO)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one?
The InChIKey is GUDLOAVHTXPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-13-12-17(14-15-6-2-1-3-7-15)10-11-18-9-5-4-8-16(18)20/h1-9,19H,10-14H2.
What are the key properties of 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one?
1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 78926173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).