(E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide

C22H23NO2 — CID 44579695

IUPAC(E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide
SMILESCC(C)=CCOc1ccc(/C=C/NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-18(2)15-17-25-21-11-8-20(9-12-21)14-16-23-22(24)13-10-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,23,24)/b13-10+,16-14+
InChIKeyQBZNVFGBZZATNO-BMCDEEFISA-N
MW333.43 g/mol
LogP4.83
Rot. Bonds7

About (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide

(E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide (PubChem CID 44579695) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide
PubChem CID44579695
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide
SMILESCC(C)=CCOc1ccc(/C=C/NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-18(2)15-17-25-21-11-8-20(9-12-21)14-16-23-22(24)13-10-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,23,24)/b13-10+,16-14+
InChIKeyQBZNVFGBZZATNO-BMCDEEFISA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide (CID 44579695) is (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide is CC(C)=CCOc1ccc(/C=C/NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide?
The InChIKey is QBZNVFGBZZATNO-BMCDEEFISA-N. The full InChI is InChI=1S/C22H23NO2/c1-18(2)15-17-25-21-11-8-20(9-12-21)14-16-23-22(24)13-10-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,23,24)/b13-10+,16-14+.
What are the key properties of (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide?
(E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide has a molecular weight of 333.43 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-2-[4-(3-methylbut-2-enoxy)phenyl]ethenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 44579695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).