(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone

C19H19NO2 — CID 71679096

IUPAC(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
SMILESCCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-4-20-13(2)18(16-7-5-6-8-17(16)20)19(21)14-9-11-15(22-3)12-10-14/h5-12H,4H2,1-3H3
InChIKeyJCOXVCVAJRJWHK-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.21
Rot. Bonds4

About (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone

(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 71679096) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
PubChem CID71679096
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone
SMILESCCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H19NO2/c1-4-20-13(2)18(16-7-5-6-8-17(16)20)19(21)14-9-11-15(22-3)12-10-14/h5-12H,4H2,1-3H3
InChIKeyJCOXVCVAJRJWHK-UHFFFAOYSA-N
XLogP4.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[2-methyl-1-[(1-propylpiperidin-3-yl)methyl]indol-3-yl]methanone
CID 15015511
(4-methoxyphenyl)-[2-methyl-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968741
(4-methoxyphenyl)-[2-methyl-1-[(4-methylthiomorpholin-3-yl)methyl]indol-3-yl]methanone;hydrochloride
CID 18968777
[1-(azetidin-3-yl)-2-methylindol-3-yl]-(4-methoxyphenyl)methanone
CID 15015514
[1-ethyl-2-methyl-5-(trifluoromethoxy)indol-3-yl]-(4-methylphenyl)methanone
CID 162552113
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[1-(11-methoxyundecyl)-2-methylindol-3-yl]-phenylmethanone
CID 70528535
(4-methoxyphenyl)-[3-methyl-1-(oxiran-2-ylmethyl)indol-2-yl]methanone
CID 3771354
N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
CID 176898905
3-(1-ethyl-2-methylindole-3-carbonyl)-5,6-bis(furan-2-yl)pyrazine-2-carboxylic acid
CID 70353839
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
(4-methoxyphenyl)-[(3R)-3-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 122219331

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone (CID 71679096) is (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone is CCn1c(C)c(C(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is JCOXVCVAJRJWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-4-20-13(2)18(16-7-5-6-8-17(16)20)19(21)14-9-11-15(22-3)12-10-14/h5-12H,4H2,1-3H3.
What are the key properties of (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone?
(1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 293.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-methylindol-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71679096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).