N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide

C17H26N2O2 — CID 67772910

IUPACN-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
SMILESCCCC[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-4-10-15(11-19-12-16(20)13-19)18(2)17(21)14-8-6-5-7-9-14/h5-9,15-16,20H,3-4,10-13H2,1-2H3/t15-/m0/s1
InChIKeyJRMGQJYYQIWUGK-HNNXBMFYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds7

About N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide

N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide (PubChem CID 67772910) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
PubChem CID67772910
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
SMILESCCCC[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-3-4-10-15(11-19-12-16(20)13-19)18(2)17(21)14-8-6-5-7-9-14/h5-9,15-16,20H,3-4,10-13H2,1-2H3/t15-/m0/s1
InChIKeyJRMGQJYYQIWUGK-HNNXBMFYSA-N
XLogP1.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
CID 67774102
4-bromo-N-[(2S)-1-(3-hydroxyazetidin-1-yl)pentan-2-yl]-N-methylbenzamide
CID 57345461
4-chloro-N-[1-(3-hydroxyazetidin-1-yl)pentan-2-yl]-N-methylbenzamide;hydrochloride
CID 67773350
2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
CID 67774372
4-chloro-N-[1-(3-hydroxyazetidin-1-yl)propan-2-yl]-N-methylbenzamide
CID 67773383
4-chloro-3-fluoro-N-[1-(3-hydroxyazetidin-1-yl)butan-2-yl]-N-methylbenzamide
CID 67774502
N-(1-chlorohexadecyl)-N-methylbenzamide
CID 174612781
N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide
CID 57211752
4-bromo-N-[1-cyclopropyl-2-(3-hydroxyazetidin-1-yl)ethyl]-N-methylbenzamide
CID 67773636
[2-[benzoyl(methyl)amino]-4,4,4-trifluoro-3-oxobutanoyl]-tributylphosphanium
CID 132541801
3,4-difluoro-N-[(2S,3S)-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide
CID 57345466
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
The IUPAC name of N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide (CID 67772910) is N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
The canonical SMILES for N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide is CCCC[C@@H](CN1CC(O)C1)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
The InChIKey is JRMGQJYYQIWUGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-10-15(11-19-12-16(20)13-19)18(2)17(21)14-8-6-5-7-9-14/h5-9,15-16,20H,3-4,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 67772910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).