(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone

C18H23NO2 — CID 83164060

IUPAC(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)C3(CC)CCCC3)c12
InChIInChI=1S/C18H23NO2/c1-3-18(10-5-6-11-18)17(20)13-12-19-14-8-7-9-15(16(13)14)21-4-2/h7-9,12,19H,3-6,10-11H2,1-2H3
InChIKeyLOYQHBOMNVXWIN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.72
Rot. Bonds5

About (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone

(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone (PubChem CID 83164060) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
PubChem CID83164060
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)C3(CC)CCCC3)c12
InChIInChI=1S/C18H23NO2/c1-3-18(10-5-6-11-18)17(20)13-12-19-14-8-7-9-15(16(13)14)21-4-2/h7-9,12,19H,3-6,10-11H2,1-2H3
InChIKeyLOYQHBOMNVXWIN-UHFFFAOYSA-N
XLogP4.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162872
(4-bromo-1H-indol-3-yl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115351549
(4-ethoxy-1H-indol-3-yl)-(furan-3-yl)methanone
CID 83163327
4-ethoxy-3-ethyl-1H-indole
CID 171816854
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone?
The IUPAC name of (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone (CID 83164060) is (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone.
What is the SMILES notation for (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone?
The canonical SMILES for (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone is CCOc1cccc2[nH]cc(C(=O)C3(CC)CCCC3)c12.
What is the InChIKey of (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone?
The InChIKey is LOYQHBOMNVXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-18(10-5-6-11-18)17(20)13-12-19-14-8-7-9-15(16(13)14)21-4-2/h7-9,12,19H,3-6,10-11H2,1-2H3.
What are the key properties of (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone?
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone has a molecular weight of 285.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone is sourced from PubChem (CID 83164060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).