1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone

C18H20N2O2 — CID 18094285

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
SMILESCCc1cccc2c(C(=O)CN(C)Cc3ccco3)c[nH]c12
InChIInChI=1S/C18H20N2O2/c1-3-13-6-4-8-15-16(10-19-18(13)15)17(21)12-20(2)11-14-7-5-9-22-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyJLVXVRFIMWYNAA-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.64
Rot. Bonds6

About 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone

1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone (PubChem CID 18094285) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
PubChem CID18094285
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone
SMILESCCc1cccc2c(C(=O)CN(C)Cc3ccco3)c[nH]c12
InChIInChI=1S/C18H20N2O2/c1-3-13-6-4-8-15-16(10-19-18(13)15)17(21)12-20(2)11-14-7-5-9-22-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyJLVXVRFIMWYNAA-UHFFFAOYSA-N
XLogP3.64
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
CID 9320637
8-ethyl-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3217744
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 62051012
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266372
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225
(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone (CID 18094285) is 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone is CCc1cccc2c(C(=O)CN(C)Cc3ccco3)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone?
The InChIKey is JLVXVRFIMWYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-13-6-4-8-15-16(10-19-18(13)15)17(21)12-20(2)11-14-7-5-9-22-14/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone?
1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone has a molecular weight of 296.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-[furan-2-ylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 18094285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).