(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

C19H18N2O — CID 823206

IUPAC(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-11,14,21H,12-13H2,(H,20,22)/b11-10+
InChIKeyYSNGDZDGGGVGHU-ZHACJKMWSA-N
MW290.37 g/mol
LogP3.54
Rot. Bonds5

About (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 823206) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID823206
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-11,14,21H,12-13H2,(H,20,22)/b11-10+
InChIKeyYSNGDZDGGGVGHU-ZHACJKMWSA-N
XLogP3.54
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (CID 823206) is (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is YSNGDZDGGGVGHU-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-11,14,21H,12-13H2,(H,20,22)/b11-10+.
What are the key properties of (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 290.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 823206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).