N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide

C15H22N2O2 — CID 50955344

IUPACN-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CC(O)C1
InChIInChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)15(19)8-9-16-11-14(18)12-16/h3-7,14,18H,2,8-12H2,1H3
InChIKeyUHQXQAJYSXMAPW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.10
Rot. Bonds6

About N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide

N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide (PubChem CID 50955344) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide
PubChem CID50955344
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CC(O)C1
InChIInChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)15(19)8-9-16-11-14(18)12-16/h3-7,14,18H,2,8-12H2,1H3
InChIKeyUHQXQAJYSXMAPW-UHFFFAOYSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide (CID 50955344) is N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide is CCN(Cc1ccccc1)C(=O)CCN1CC(O)C1.
What is the InChIKey of N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide?
The InChIKey is UHQXQAJYSXMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-17(10-13-6-4-3-5-7-13)15(19)8-9-16-11-14(18)12-16/h3-7,14,18H,2,8-12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide?
N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(3-hydroxyazetidin-1-yl)propanamide is sourced from PubChem (CID 50955344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).