2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone

C18H24N2O — CID 115642542

IUPAC2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
SMILESCCC1CCCCCN1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O/c1-2-14-8-4-3-7-11-20(14)13-18(21)16-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,12,14,19H,2-4,7-8,11,13H2,1H3
InChIKeySLWZEAUHWVFJBP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone

2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone (PubChem CID 115642542) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
PubChem CID115642542
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
SMILESCCC1CCCCCN1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O/c1-2-14-8-4-3-7-11-20(14)13-18(21)16-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,12,14,19H,2-4,7-8,11,13H2,1H3
InChIKeySLWZEAUHWVFJBP-UHFFFAOYSA-N
XLogP4.01
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
2-[(2S)-2-ethylpiperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 919474
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 83137954
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole
CID 730166
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone (CID 115642542) is 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone is CCC1CCCCCN1CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is SLWZEAUHWVFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-14-8-4-3-7-11-20(14)13-18(21)16-12-19-17-10-6-5-9-15(16)17/h5-6,9-10,12,14,19H,2-4,7-8,11,13H2,1H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone?
2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 115642542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).