2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile

C20H20N2O2 — CID 58694355

IUPAC2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1
InChIInChI=1S/C20H20N2O2/c1-4-22-19-11-10-16(23-3)12-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2/h6-12H,4-5H2,1-3H3
InChIKeySLESNLDAZPEUKP-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.61
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile

2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile (PubChem CID 58694355) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
PubChem CID58694355
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1
InChIInChI=1S/C20H20N2O2/c1-4-22-19-11-10-16(23-3)12-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2/h6-12H,4-5H2,1-3H3
InChIKeySLESNLDAZPEUKP-UHFFFAOYSA-N
XLogP4.61
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
CID 70859124
4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
CID 58694115
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
1-ethyl-5-methoxy-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]indole-3-carbonitrile
CID 58694518
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435
5-acetyl-6-ethoxy-1-ethyl-2-(4-nitrophenyl)indole-3-carbonitrile
CID 58694068
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
CID 59425879
1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58694031

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile?
The IUPAC name of 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile (CID 58694355) is 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile is CCOc1ccc(-c2c(C#N)c3cc(OC)ccc3n2CC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile?
The InChIKey is SLESNLDAZPEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-22-19-11-10-16(23-3)12-17(19)18(13-21)20(22)14-6-8-15(9-7-14)24-5-2/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile?
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile has a molecular weight of 320.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile is sourced from PubChem (CID 58694355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).