1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone

C18H23NO2 — CID 104751578

IUPAC1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
SMILESCCOc1ccc2c(ccn2CC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H23NO2/c1-2-21-16-8-9-17-15(12-16)10-11-19(17)13-18(20)14-6-4-3-5-7-14/h8-12,14H,2-7,13H2,1H3
InChIKeyNAGDOUSHLLERMI-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.19
Rot. Bonds5

About 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone

1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone (PubChem CID 104751578) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
PubChem CID104751578
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
SMILESCCOc1ccc2c(ccn2CC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H23NO2/c1-2-21-16-8-9-17-15(12-16)10-11-19(17)13-18(20)14-6-4-3-5-7-14/h8-12,14H,2-7,13H2,1H3
InChIKeyNAGDOUSHLLERMI-UHFFFAOYSA-N
XLogP4.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone
CID 80643179
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
1-cyclopentyl-2-indol-1-ylethanone
CID 104751207
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid
CID 80643258
(Z)-4-(5-ethoxyindol-1-yl)-2-ethylbut-2-enoic acid
CID 80643451
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone (CID 104751578) is 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone is CCOc1ccc2c(ccn2CC(=O)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone?
The InChIKey is NAGDOUSHLLERMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-21-16-8-9-17-15(12-16)10-11-19(17)13-18(20)14-6-4-3-5-7-14/h8-12,14H,2-7,13H2,1H3.
What are the key properties of 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone?
1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone has a molecular weight of 285.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone is sourced from PubChem (CID 104751578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).