(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide

C17H16N2O2 — CID 2167901

IUPAC(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1
InChIInChI=1S/C17H16N2O2/c1-13-7-8-16(21-13)11-15(12-18)17(20)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)/b15-11+
InChIKeyNDKOBLYAPARBBS-RVDMUPIBSA-N
MW280.33 g/mol
LogP2.85
Rot. Bonds5

About (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide

(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 2167901) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID2167901
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESCc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1
InChIInChI=1S/C17H16N2O2/c1-13-7-8-16(21-13)11-15(12-18)17(20)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)/b15-11+
InChIKeyNDKOBLYAPARBBS-RVDMUPIBSA-N
XLogP2.85
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide (CID 2167901) is (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide is Cc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1.
What is the InChIKey of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is NDKOBLYAPARBBS-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-8-16(21-13)11-15(12-18)17(20)19-10-9-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)/b15-11+.
What are the key properties of (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide?
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(5-methylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 2167901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).