(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide

C19H18N2O2 — CID 155567198

IUPAC(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C19H18N2O2/c22-17-7-8-18-15(13-17)12-16(21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+
InChIKeyJBJYNQJTYLNRGI-RMKNXTFCSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds5

About (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 155567198) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID155567198
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C19H18N2O2/c22-17-7-8-18-15(13-17)12-16(21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+
InChIKeyJBJYNQJTYLNRGI-RMKNXTFCSA-N
XLogP3.25
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5202
Bufotenine
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CID 903
5-Hydroxytryptophol
CID 9061
Serotonin Hydrochloride
CID 160436
Roxindole
CID 219050
N-Methylserotonin
CID 150885
5-Hydroxyindole
CID 16054
N-Coumaroyl serotonin
CID 5458879
2-methyl-5-HT
CID 1574
Arachidonoyl Serotonin
CID 10027372
Npc327132
CID 4048638

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide (CID 155567198) is (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCc1cc2cc(O)ccc2[nH]1.
What is the InChIKey of (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is JBJYNQJTYLNRGI-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-17-7-8-18-15(13-17)12-16(21-18)10-11-20-19(23)9-6-14-4-2-1-3-5-14/h1-9,12-13,21-22H,10-11H2,(H,20,23)/b9-6+.
What are the key properties of (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-hydroxy-1H-indol-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 155567198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).