(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide

C17H17NO2 — CID 5315911

IUPAC(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1ccc(O)cc1
InChIInChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+
InChIKeyKGOYCHSKGXJDND-DHZHZOJOSA-N
MW267.33 g/mol
LogP2.76
Rot. Bonds5

About (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide (PubChem CID 5315911) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID5315911
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCc1ccc(O)cc1
InChIInChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+
InChIKeyKGOYCHSKGXJDND-DHZHZOJOSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
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 (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide (CID 5315911) is (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCc1ccc(O)cc1.
What is the InChIKey of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is KGOYCHSKGXJDND-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+.
What are the key properties of (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 5315911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).