(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide

C16H15NO2 — CID 71559766

IUPAC(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cccc(O)c1
InChIInChI=1S/C16H15NO2/c1-12-5-2-3-8-15(12)17-16(19)10-9-13-6-4-7-14(18)11-13/h2-11,18H,1H3,(H,17,19)/b10-9+
InChIKeyJAWRIGQGECSYFZ-MDZDMXLPSA-N
MW253.30 g/mol
LogP3.35
Rot. Bonds3

About (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide

(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide (PubChem CID 71559766) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide
PubChem CID71559766
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cccc(O)c1
InChIInChI=1S/C16H15NO2/c1-12-5-2-3-8-15(12)17-16(19)10-9-13-6-4-7-14(18)11-13/h2-11,18H,1H3,(H,17,19)/b10-9+
InChIKeyJAWRIGQGECSYFZ-MDZDMXLPSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.35
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)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide (CID 71559766) is (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide is Cc1ccccc1NC(=O)/C=C/c1cccc(O)c1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
The InChIKey is JAWRIGQGECSYFZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-5-2-3-8-15(12)17-16(19)10-9-13-6-4-7-14(18)11-13/h2-11,18H,1H3,(H,17,19)/b10-9+.
What are the key properties of (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide?
(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 71559766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).