(E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide

C19H20N2O2 — CID 44591455

IUPAC(E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide
SMILESCC(C)=CCOc1ccc(/C=C/C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H20N2O2/c1-15(2)12-14-23-17-9-6-16(7-10-17)8-11-19(22)21-18-5-3-4-13-20-18/h3-13H,14H2,1-2H3,(H,20,21,22)/b11-8+
InChIKeyGXTGKYLVILDAEE-DHZHZOJOSA-N
MW308.38 g/mol
LogP4.08
Rot. Bonds6

About (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide

(E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide (PubChem CID 44591455) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide
PubChem CID44591455
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide
SMILESCC(C)=CCOc1ccc(/C=C/C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C19H20N2O2/c1-15(2)12-14-23-17-9-6-16(7-10-17)8-11-19(22)21-18-5-3-4-13-20-18/h3-13H,14H2,1-2H3,(H,20,21,22)/b11-8+
InChIKeyGXTGKYLVILDAEE-DHZHZOJOSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide (CID 44591455) is (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide is CC(C)=CCOc1ccc(/C=C/C(=O)Nc2ccccn2)cc1.
What is the InChIKey of (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide?
The InChIKey is GXTGKYLVILDAEE-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-15(2)12-14-23-17-9-6-16(7-10-17)8-11-19(22)21-18-5-3-4-13-20-18/h3-13H,14H2,1-2H3,(H,20,21,22)/b11-8+.
What are the key properties of (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide?
(E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide has a molecular weight of 308.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-methylbut-2-enoxy)phenyl]-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 44591455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).