1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone

C20H30N2O3 — CID 97112522

IUPAC1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
SMILESCCc1cccc(OC2CN(C(=O)C[C@@H]3CN(C(C)C)CCO3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-4-16-6-5-7-17(10-16)25-19-13-22(14-19)20(23)11-18-12-21(15(2)3)8-9-24-18/h5-7,10,15,18-19H,4,8-9,11-14H2,1-3H3/t18-/m1/s1
InChIKeyWLUZDNNKIVPPEI-GOSISDBHSA-N
MW346.47 g/mol
LogP2.34
Rot. Bonds6

About 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone

1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone (PubChem CID 97112522) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
PubChem CID97112522
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
SMILESCCc1cccc(OC2CN(C(=O)C[C@@H]3CN(C(C)C)CCO3)C2)c1
InChIInChI=1S/C20H30N2O3/c1-4-16-6-5-7-17(10-16)25-19-13-22(14-19)20(23)11-18-12-21(15(2)3)8-9-24-18/h5-7,10,15,18-19H,4,8-9,11-14H2,1-3H3/t18-/m1/s1
InChIKeyWLUZDNNKIVPPEI-GOSISDBHSA-N
XLogP2.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone with MolForge

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Related Compounds

2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326
1-[3-(3-ethylphenoxy)azetidin-1-yl]-4-(4-methylpiperazin-1-yl)pentan-1-one
CID 70731356
1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70772622
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 77078846
2-hydroxy-6-[1-[2-[(2S)-4-methylmorpholin-2-yl]acetyl]azetidin-3-yl]oxybenzoic acid
CID 164883501
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone?
The IUPAC name of 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone (CID 97112522) is 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone.
What is the SMILES notation for 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone?
The canonical SMILES for 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone is CCc1cccc(OC2CN(C(=O)C[C@@H]3CN(C(C)C)CCO3)C2)c1.
What is the InChIKey of 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone?
The InChIKey is WLUZDNNKIVPPEI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-16-6-5-7-17(10-16)25-19-13-22(14-19)20(23)11-18-12-21(15(2)3)8-9-24-18/h5-7,10,15,18-19H,4,8-9,11-14H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone?
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone is sourced from PubChem (CID 97112522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).