2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone

C20H26N2O3 — CID 47077973

IUPAC2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN(CC1CCCO1)CC1CCCO1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O3/c23-20(18-11-21-19-8-2-1-7-17(18)19)14-22(12-15-5-3-9-24-15)13-16-6-4-10-25-16/h1-2,7-8,11,15-16,21H,3-6,9-10,12-14H2
InChIKeyOIEUBMIDQXUCAZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds7

About 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone

2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone (PubChem CID 47077973) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
PubChem CID47077973
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN(CC1CCCO1)CC1CCCO1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O3/c23-20(18-11-21-19-8-2-1-7-17(18)19)14-22(12-15-5-3-9-24-15)13-16-6-4-10-25-16/h1-2,7-8,11,15-16,21H,3-6,9-10,12-14H2
InChIKeyOIEUBMIDQXUCAZ-UHFFFAOYSA-N
XLogP3.01
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 109397668
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 62029005
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
methyl 3-[[(2R)-oxolan-2-yl]methyl-[2-[(4-oxo-1H-quinoline-3-carbonyl)amino]acetyl]amino]propanoate
CID 96503451
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926

Frequently Asked Questions

What is the IUPAC name of 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone (CID 47077973) is 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone is O=C(CN(CC1CCCO1)CC1CCCO1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is OIEUBMIDQXUCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-20(18-11-21-19-8-2-1-7-17(18)19)14-22(12-15-5-3-9-24-15)13-16-6-4-10-25-16/h1-2,7-8,11,15-16,21H,3-6,9-10,12-14H2.
What are the key properties of 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone?
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 342.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 47077973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).