(E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide

C20H15NO4 — CID 44561976

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)o1)NO
InChIInChI=1S/C20H15NO4/c22-19(16-6-5-14-3-1-2-4-15(14)13-16)11-9-17-7-8-18(25-17)10-12-20(23)21-24/h1-13,24H,(H,21,23)/b11-9+,12-10+
InChIKeyZPCAMDITBGELPH-WGDLNXRISA-N
MW333.34 g/mol
LogP3.85
Rot. Bonds5

About (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide (PubChem CID 44561976) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
PubChem CID44561976
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)o1)NO
InChIInChI=1S/C20H15NO4/c22-19(16-6-5-14-3-1-2-4-15(14)13-16)11-9-17-7-8-18(25-17)10-12-20(23)21-24/h1-13,24H,(H,21,23)/b11-9+,12-10+
InChIKeyZPCAMDITBGELPH-WGDLNXRISA-N
XLogP3.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.85
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-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide (CID 44561976) is (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc3ccccc3c2)o1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The InChIKey is ZPCAMDITBGELPH-WGDLNXRISA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(16-6-5-14-3-1-2-4-15(14)13-16)11-9-17-7-8-18(25-17)10-12-20(23)21-24/h1-13,24H,(H,21,23)/b11-9+,12-10+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide has a molecular weight of 333.34 g/mol, XLogP of 3.85, 5 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-naphthalen-2-yl-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 44561976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).