(E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C17H19NO2 — CID 844403

IUPAC(E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H19NO2/c1-13(2)15-8-5-14(6-9-15)7-10-17(19)18-12-16-4-3-11-20-16/h3-11,13H,12H2,1-2H3,(H,18,19)/b10-7+
InChIKeyZDPDXRHYXJDIFZ-JXMROGBWSA-N
MW269.34 g/mol
LogP3.73
Rot. Bonds5

About (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 844403) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID844403
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H19NO2/c1-13(2)15-8-5-14(6-9-15)7-10-17(19)18-12-16-4-3-11-20-16/h3-11,13H,12H2,1-2H3,(H,18,19)/b10-7+
InChIKeyZDPDXRHYXJDIFZ-JXMROGBWSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
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-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 844403) is (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)NCc2ccco2)cc1.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is ZDPDXRHYXJDIFZ-JXMROGBWSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(2)15-8-5-14(6-9-15)7-10-17(19)18-12-16-4-3-11-20-16/h3-11,13H,12H2,1-2H3,(H,18,19)/b10-7+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 269.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 844403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).