2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H26N2O3 — CID 124752534

IUPAC2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCc1ccccc1OC1CN(CC(=O)NC[C@@H]2CCCO2)C1
InChIInChI=1S/C18H26N2O3/c1-2-14-6-3-4-8-17(14)23-16-11-20(12-16)13-18(21)19-10-15-7-5-9-22-15/h3-4,6,8,15-16H,2,5,7,9-13H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJVHWKFTXBLAVJS-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.61
Rot. Bonds7

About 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 124752534) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID124752534
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCc1ccccc1OC1CN(CC(=O)NC[C@@H]2CCCO2)C1
InChIInChI=1S/C18H26N2O3/c1-2-14-6-3-4-8-17(14)23-16-11-20(12-16)13-18(21)19-10-15-7-5-9-22-15/h3-4,6,8,15-16H,2,5,7,9-13H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJVHWKFTXBLAVJS-HNNXBMFYSA-N
XLogP1.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139972
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95334411
2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 162628228
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
(1S,5R)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122556344
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 103576526
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 124752534) is 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCc1ccccc1OC1CN(CC(=O)NC[C@@H]2CCCO2)C1.
What is the InChIKey of 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JVHWKFTXBLAVJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-14-6-3-4-8-17(14)23-16-11-20(12-16)13-18(21)19-10-15-7-5-9-22-15/h3-4,6,8,15-16H,2,5,7,9-13H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 124752534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).