2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone

C18H24N2O3 — CID 136586906

IUPAC2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
SMILESCCOc1cccc2[nH]cc(CC(=O)N3CC[C@H](OCC)C3)c12
InChIInChI=1S/C18H24N2O3/c1-3-22-14-8-9-20(12-14)17(21)10-13-11-19-15-6-5-7-16(18(13)15)23-4-2/h5-7,11,14,19H,3-4,8-10,12H2,1-2H3/t14-/m0/s1
InChIKeyFKGLIWHJZXSUSO-AWEZNQCLSA-N
MW316.40 g/mol
LogP2.75
Rot. Bonds6

About 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone

2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone (PubChem CID 136586906) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
PubChem CID136586906
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
SMILESCCOc1cccc2[nH]cc(CC(=O)N3CC[C@H](OCC)C3)c12
InChIInChI=1S/C18H24N2O3/c1-3-22-14-8-9-20(12-14)17(21)10-13-11-19-15-6-5-7-16(18(13)15)23-4-2/h5-7,11,14,19H,3-4,8-10,12H2,1-2H3/t14-/m0/s1
InChIKeyFKGLIWHJZXSUSO-AWEZNQCLSA-N
XLogP2.75
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptan-3-yl]-2-(4-ethoxy-1H-indol-3-yl)ethanone
CID 125143627
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 124852502
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
CID 121197452
2-(4-methoxy-1H-indol-3-yl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136521359
(3R,4R)-4-cyclopropyl-1-[2-(4-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979977
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125144179
6-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514837
[(2S)-1-[2-(4-ethoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171079991
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone (CID 136586906) is 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone is CCOc1cccc2[nH]cc(CC(=O)N3CC[C@H](OCC)C3)c12.
What is the InChIKey of 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone?
The InChIKey is FKGLIWHJZXSUSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-22-14-8-9-20(12-14)17(21)10-13-11-19-15-6-5-7-16(18(13)15)23-4-2/h5-7,11,14,19H,3-4,8-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone?
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 136586906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).