(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide

C17H17NO2 — CID 110465692

IUPAC(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C17H17NO2/c1-2-5-17(20)18-12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)19/h2-11,19H,12H2,1H3,(H,18,20)/b5-2+
InChIKeyFDGHLEVOOFJDNA-GORDUTHDSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds4

About (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide

(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide (PubChem CID 110465692) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide
PubChem CID110465692
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide
SMILESC/C=C/C(=O)NCc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C17H17NO2/c1-2-5-17(20)18-12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)19/h2-11,19H,12H2,1H3,(H,18,20)/b5-2+
InChIKeyFDGHLEVOOFJDNA-GORDUTHDSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
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-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide?
The IUPAC name of (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide (CID 110465692) is (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide?
The canonical SMILES for (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide is C/C=C/C(=O)NCc1ccc(-c2ccccc2O)cc1.
What is the InChIKey of (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide?
The InChIKey is FDGHLEVOOFJDNA-GORDUTHDSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-5-17(20)18-12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)19/h2-11,19H,12H2,1H3,(H,18,20)/b5-2+.
What are the key properties of (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide?
(E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide has a molecular weight of 267.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(2-hydroxyphenyl)phenyl]methyl]but-2-enamide is sourced from PubChem (CID 110465692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).