(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide

C16H15NO2 — CID 10562830

IUPAC(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C16H15NO2/c18-15-9-6-13(7-10-15)8-11-16(19)17-12-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,17,19)/b11-8+
InChIKeyQQDGGVVFYXVOQK-DHZHZOJOSA-N
MW253.30 g/mol
LogP2.72
Rot. Bonds4

About (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 10562830) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID10562830
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)NCc1ccccc1
InChIInChI=1S/C16H15NO2/c18-15-9-6-13(7-10-15)8-11-16(19)17-12-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,17,19)/b11-8+
InChIKeyQQDGGVVFYXVOQK-DHZHZOJOSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.72
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-benzyl-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide (CID 10562830) is (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(O)cc1)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is QQDGGVVFYXVOQK-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15-9-6-13(7-10-15)8-11-16(19)17-12-14-4-2-1-3-5-14/h1-11,18H,12H2,(H,17,19)/b11-8+.
What are the key properties of (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 10562830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).