N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C12H22N2O3 — CID 107221632

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)N[C@H]2CCCC[C@@H]2O)CNC1
InChIInChI=1S/C12H22N2O3/c1-12(7-13-8-12)17-6-11(16)14-9-4-2-3-5-10(9)15/h9-10,13,15H,2-8H2,1H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyCDKRAFFTTBDIDX-UWVGGRQHSA-N
MW242.32 g/mol
LogP-0.22
Rot. Bonds4

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 107221632) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID107221632
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)N[C@H]2CCCC[C@@H]2O)CNC1
InChIInChI=1S/C12H22N2O3/c1-12(7-13-8-12)17-6-11(16)14-9-4-2-3-5-10(9)15/h9-10,13,15H,2-8H2,1H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyCDKRAFFTTBDIDX-UWVGGRQHSA-N
XLogP-0.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylcyclopropyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611635
N-(2-hydroxycyclopentyl)-2-methoxyacetamide
CID 20644229
2-cyclohexyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656029
2-(dimethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104969353
2-(3-methylazetidin-3-yl)oxy-N-(oxan-2-ylmethyl)acetamide
CID 102611484
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
N-(2-hydroxycycloheptyl)-2-piperidin-4-ylacetamide
CID 113394752
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
CID 107222088
2-(3-methylazetidin-3-yl)oxy-N-pyrrol-1-ylacetamide
CID 102656321
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 79615606
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 107221632) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)N[C@H]2CCCC[C@@H]2O)CNC1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is CDKRAFFTTBDIDX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(7-13-8-12)17-6-11(16)14-9-4-2-3-5-10(9)15/h9-10,13,15H,2-8H2,1H3,(H,14,16)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 242.32 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 107221632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).