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

C19H18N2O2 — CID 25200424

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)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)
InChIKeyFRAFXYQJEIADQB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds5

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

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 25200424) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID25200424
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)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)
InChIKeyFRAFXYQJEIADQB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide (CID 25200424) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is FRAFXYQJEIADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-16-7-8-18-17(12-16)15(13-21-18)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).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide?
N-[2-(5-hydroxy-1H-indol-3-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 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 25200424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).