(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide

C17H19NO2 — CID 86950496

IUPAC(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cc(C)oc2C)cc1
InChIInChI=1S/C17H19NO2/c1-12-4-6-15(7-5-12)8-9-17(19)18-11-16-10-13(2)20-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)/b9-8+
InChIKeyHQUVKKKFSVWQOM-CMDGGOBGSA-N
MW269.34 g/mol
LogP3.53
Rot. Bonds4

About (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 86950496) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID86950496
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2cc(C)oc2C)cc1
InChIInChI=1S/C17H19NO2/c1-12-4-6-15(7-5-12)8-9-17(19)18-11-16-10-13(2)20-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)/b9-8+
InChIKeyHQUVKKKFSVWQOM-CMDGGOBGSA-N
XLogP3.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.53
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-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide (CID 86950496) is (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2cc(C)oc2C)cc1.
What is the InChIKey of (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is HQUVKKKFSVWQOM-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-6-15(7-5-12)8-9-17(19)18-11-16-10-13(2)20-14(16)3/h4-10H,11H2,1-3H3,(H,18,19)/b9-8+.
What are the key properties of (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 269.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 86950496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).