(E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

C21H22N2O2 — CID 71499378

IUPAC(E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C21H22N2O2/c1-16-15-18-5-3-4-6-20(18)23(16)14-13-22-21(24)12-9-17-7-10-19(25-2)11-8-17/h3-12,15H,13-14H2,1-2H3,(H,22,24)/b12-9+
InChIKeyQFROZSBTZCFTII-FMIVXFBMSA-N
MW334.42 g/mol
LogP3.79
Rot. Bonds6

About (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 71499378) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID71499378
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C21H22N2O2/c1-16-15-18-5-3-4-6-20(18)23(16)14-13-22-21(24)12-9-17-7-10-19(25-2)11-8-17/h3-12,15H,13-14H2,1-2H3,(H,22,24)/b12-9+
InChIKeyQFROZSBTZCFTII-FMIVXFBMSA-N
XLogP3.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide (CID 71499378) is (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is QFROZSBTZCFTII-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16-15-18-5-3-4-6-20(18)23(16)14-13-22-21(24)12-9-17-7-10-19(25-2)11-8-17/h3-12,15H,13-14H2,1-2H3,(H,22,24)/b12-9+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71499378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).