1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone

C15H20N2O2 — CID 98033002

IUPAC1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1c(C)[nH]c2ccc(OCC)cc12
InChIInChI=1S/C15H20N2O2/c1-4-16-9-14(18)15-10(3)17-13-7-6-11(19-5-2)8-12(13)15/h6-8,16-17H,4-5,9H2,1-3H3
InChIKeyPLEAXUUKGLRBMH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.67
Rot. Bonds6

About 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone

1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone (PubChem CID 98033002) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
PubChem CID98033002
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1c(C)[nH]c2ccc(OCC)cc12
InChIInChI=1S/C15H20N2O2/c1-4-16-9-14(18)15-10(3)17-13-7-6-11(19-5-2)8-12(13)15/h6-8,16-17H,4-5,9H2,1-3H3
InChIKeyPLEAXUUKGLRBMH-UHFFFAOYSA-N
XLogP2.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
1-(5-tert-butyl-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone
CID 96679637
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
ethyl 5-ethoxy-3-methyl-1H-indole-2-carboxylate
CID 4777692
2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278453
6-ethoxy-2-methyl-4-oxo-1H-quinoline-3-carbaldehyde
CID 12594754
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone;hydroiodide
CID 44655353
3-(5-ethoxy-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
CID 84642175
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
2,7-diethoxy-10H-acridin-9-one
CID 163923657
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone (CID 98033002) is 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone is CCNCC(=O)c1c(C)[nH]c2ccc(OCC)cc12.
What is the InChIKey of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
The InChIKey is PLEAXUUKGLRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-16-9-14(18)15-10(3)17-13-7-6-11(19-5-2)8-12(13)15/h6-8,16-17H,4-5,9H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone?
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone has a molecular weight of 260.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 98033002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).