[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone

C20H24N2O2 — CID 70710333

IUPAC[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C20H24N2O2/c1-4-15-8-5-6-11-19(15)24-18-13-22(14-18)20(23)16-9-7-10-17(12-16)21(2)3/h5-12,18H,4,13-14H2,1-3H3
InChIKeyJJUYCVLWUHTJFD-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.22
Rot. Bonds5

About [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone (PubChem CID 70710333) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
PubChem CID70710333
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C20H24N2O2/c1-4-15-8-5-6-11-19(15)24-18-13-22(14-18)20(23)16-9-7-10-17(12-16)21(2)3/h5-12,18H,4,13-14H2,1-3H3
InChIKeyJJUYCVLWUHTJFD-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 72899316
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-[3-(dimethylamino)phenyl]phenyl]methanone
CID 156608777
(3R,4S)-1-[3-(dimethylamino)benzoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 133113295
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121153337
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone (CID 70710333) is [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone is CCc1ccccc1OC1CN(C(=O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
The InChIKey is JJUYCVLWUHTJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-15-8-5-6-11-19(15)24-18-13-22(14-18)20(23)16-9-7-10-17(12-16)21(2)3/h5-12,18H,4,13-14H2,1-3H3.
What are the key properties of [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 70710333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).