N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

C21H30N2O3 — CID 121239263

IUPACN-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)NC3CCCCCCC3)cccc21
InChIInChI=1S/C21H30N2O3/c1-25-15-14-23-13-12-18-19(23)10-7-11-20(18)26-16-21(24)22-17-8-5-3-2-4-6-9-17/h7,10-13,17H,2-6,8-9,14-16H2,1H3,(H,22,24)
InChIKeyBDNYFAVHVZOYCG-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.90
Rot. Bonds7

About N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide

N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (PubChem CID 121239263) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
PubChem CID121239263
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)NC3CCCCCCC3)cccc21
InChIInChI=1S/C21H30N2O3/c1-25-15-14-23-13-12-18-19(23)10-7-11-20(18)26-16-21(24)22-17-8-5-3-2-4-6-9-17/h7,10-13,17H,2-6,8-9,14-16H2,1H3,(H,22,24)
InChIKeyBDNYFAVHVZOYCG-UHFFFAOYSA-N
XLogP3.90
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121240337
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
N-cyclohexyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 43985294
N-cyclopentyl-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293273
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123644
2-[1-(2-methoxyethyl)indol-4-yl]oxy-1-[(2S)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]ethanone
CID 125431084
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methylpropyl)indol-4-yl]oxyacetamide
CID 91822129
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
CID 121240182
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methylindol-4-yl)oxyacetamide
CID 124878602
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The IUPAC name of N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide (CID 121239263) is N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide.
What is the SMILES notation for N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The canonical SMILES for N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)NC3CCCCCCC3)cccc21.
What is the InChIKey of N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
The InChIKey is BDNYFAVHVZOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-25-15-14-23-13-12-18-19(23)10-7-11-20(18)26-16-21(24)22-17-8-5-3-2-4-6-9-17/h7,10-13,17H,2-6,8-9,14-16H2,1H3,(H,22,24).
What are the key properties of N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide?
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide has a molecular weight of 358.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide is sourced from PubChem (CID 121239263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).