[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone

C21H26N2O3 — CID 72899316

IUPAC[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2ccc(N(C)CCO)cc2)C1
InChIInChI=1S/C21H26N2O3/c1-3-16-6-4-5-7-20(16)26-19-14-23(15-19)21(25)17-8-10-18(11-9-17)22(2)12-13-24/h4-11,19,24H,3,12-15H2,1-2H3
InChIKeyZGTCVJNQCDQZPE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.58
Rot. Bonds7

About [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone

[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone (PubChem CID 72899316) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone.

Molecular Properties

Compound Name[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
PubChem CID72899316
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2ccc(N(C)CCO)cc2)C1
InChIInChI=1S/C21H26N2O3/c1-3-16-6-4-5-7-20(16)26-19-14-23(15-19)21(25)17-8-10-18(11-9-17)22(2)12-13-24/h4-11,19,24H,3,12-15H2,1-2H3
InChIKeyZGTCVJNQCDQZPE-UHFFFAOYSA-N
XLogP2.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone with MolForge

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Related Compounds

[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77094453
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97209081
[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
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97135817
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
4-[3-(2-tert-butylphenoxy)azetidine-1-carbonyl]benzoic acid
CID 59577192
phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
CID 59577311

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone?
The IUPAC name of [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone (CID 72899316) is [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone.
What is the SMILES notation for [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone?
The canonical SMILES for [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone is CCc1ccccc1OC1CN(C(=O)c2ccc(N(C)CCO)cc2)C1.
What is the InChIKey of [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone?
The InChIKey is ZGTCVJNQCDQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-16-6-4-5-7-20(16)26-19-14-23(15-19)21(25)17-8-10-18(11-9-17)22(2)12-13-24/h4-11,19,24H,3,12-15H2,1-2H3.
What are the key properties of [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone?
[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone is sourced from PubChem (CID 72899316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).