[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone

C20H20N2O2 — CID 70779616

IUPAC[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C20H20N2O2/c1-2-14-5-3-4-6-19(14)24-17-12-22(13-17)20(23)16-7-8-18-15(11-16)9-10-21-18/h3-11,17,21H,2,12-13H2,1H3
InChIKeyRWQPGPBKIXOKDU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.63
Rot. Bonds4

About [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone

[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 70779616) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID70779616
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C20H20N2O2/c1-2-14-5-3-4-6-19(14)24-17-12-22(13-17)20(23)16-7-8-18-15(11-16)9-10-21-18/h3-11,17,21H,2,12-13H2,1H3
InChIKeyRWQPGPBKIXOKDU-UHFFFAOYSA-N
XLogP3.63
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 72899316
1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 70717345
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
4-[1-(1H-indole-6-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155565
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
(2R)-1-[3-(2-ethylphenoxy)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 97126152

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone (CID 70779616) is [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone is CCc1ccccc1OC1CN(C(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is RWQPGPBKIXOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-14-5-3-4-6-19(14)24-17-12-22(13-17)20(23)16-7-8-18-15(11-16)9-10-21-18/h3-11,17,21H,2,12-13H2,1H3.
What are the key properties of [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 70779616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).