(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide

C19H19NO4 — CID 44561972

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide
SMILESCC(C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)o2)cc1
InChIInChI=1S/C19H19NO4/c1-13(2)14-3-5-15(6-4-14)18(21)11-9-16-7-8-17(24-16)10-12-19(22)20-23/h3-13,23H,1-2H3,(H,20,22)/b11-9+,12-10+
InChIKeyUXLRQPFMGDXYTD-WGDLNXRISA-N
MW325.36 g/mol
LogP3.82
Rot. Bonds6

About (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide (PubChem CID 44561972) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide
PubChem CID44561972
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide
SMILESCC(C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)o2)cc1
InChIInChI=1S/C19H19NO4/c1-13(2)14-3-5-15(6-4-14)18(21)11-9-16-7-8-17(24-16)10-12-19(22)20-23/h3-13,23H,1-2H3,(H,20,22)/b11-9+,12-10+
InChIKeyUXLRQPFMGDXYTD-WGDLNXRISA-N
XLogP3.82
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide (CID 44561972) is (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide is CC(C)c1ccc(C(=O)/C=C/c2ccc(/C=C/C(=O)NO)o2)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide?
The InChIKey is UXLRQPFMGDXYTD-WGDLNXRISA-N. The full InChI is InChI=1S/C19H19NO4/c1-13(2)14-3-5-15(6-4-14)18(21)11-9-16-7-8-17(24-16)10-12-19(22)20-23/h3-13,23H,1-2H3,(H,20,22)/b11-9+,12-10+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide has a molecular weight of 325.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[(E)-3-oxo-3-(4-propan-2-ylphenyl)prop-1-enyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 44561972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).