[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone

C21H21NO3 — CID 77078846

IUPAC[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cc4cccc(C)c4o3)C2)c1
InChIInChI=1S/C21H21NO3/c1-3-15-7-5-9-17(10-15)24-18-12-22(13-18)21(23)19-11-16-8-4-6-14(2)20(16)25-19/h4-11,18H,3,12-13H2,1-2H3
InChIKeyJELXYUZTDQMHNW-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.21
Rot. Bonds4

About [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone

[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 77078846) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID77078846
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cc4cccc(C)c4o3)C2)c1
InChIInChI=1S/C21H21NO3/c1-3-15-7-5-9-17(10-15)24-18-12-22(13-18)21(23)19-11-16-8-4-6-14(2)20(16)25-19/h4-11,18H,3,12-13H2,1-2H3
InChIKeyJELXYUZTDQMHNW-UHFFFAOYSA-N
XLogP4.21
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
(3S,4S)-1-(7-methyl-1-benzofuran-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950344
[4-(4-methoxyphenyl)piperazin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 48981638
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
[3-(methylamino)piperidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119492910
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70754674
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
3,4-dihydro-1H-isoquinolin-2-yl-(7-methyl-1-benzofuran-2-yl)methanone
CID 49014027

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone (CID 77078846) is [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone is CCc1cccc(OC2CN(C(=O)c3cc4cccc(C)c4o3)C2)c1.
What is the InChIKey of [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is JELXYUZTDQMHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-15-7-5-9-17(10-15)24-18-12-22(13-18)21(23)19-11-16-8-4-6-14(2)20(16)25-19/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone?
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 77078846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).