(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

C22H24N2O3 — CID 71499416

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H24N2O3/c1-15-17(18-6-4-5-7-19(18)24-15)12-13-23-22(25)11-9-16-8-10-20(26-2)21(14-16)27-3/h4-11,14,24H,12-13H2,1-3H3,(H,23,25)/b11-9+
InChIKeyATVNQFRYKUTVRU-PKNBQFBNSA-N
MW364.45 g/mol
LogP3.87
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide (PubChem CID 71499416) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
PubChem CID71499416
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H24N2O3/c1-15-17(18-6-4-5-7-19(18)24-15)12-13-23-22(25)11-9-16-8-10-20(26-2)21(14-16)27-3/h4-11,14,24H,12-13H2,1-3H3,(H,23,25)/b11-9+
InChIKeyATVNQFRYKUTVRU-PKNBQFBNSA-N
XLogP3.87
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide (CID 71499416) is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2c(C)[nH]c3ccccc23)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide?
The InChIKey is ATVNQFRYKUTVRU-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-17(18-6-4-5-7-19(18)24-15)12-13-23-22(25)11-9-16-8-10-20(26-2)21(14-16)27-3/h4-11,14,24H,12-13H2,1-3H3,(H,23,25)/b11-9+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71499416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).