(E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide

C17H20N2O3 — CID 71769925

IUPAC(E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
SMILESCCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C17H20N2O3/c1-2-19(12-14-6-4-3-5-7-14)13-16-9-8-15(22-16)10-11-17(20)18-21/h3-11,21H,2,12-13H2,1H3,(H,18,20)/b11-10+
InChIKeyYSHAULCJPNNZNY-ZHACJKMWSA-N
MW300.36 g/mol
LogP2.82
Rot. Bonds7

About (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide

(E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide (PubChem CID 71769925) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
PubChem CID71769925
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
SMILESCCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C17H20N2O3/c1-2-19(12-14-6-4-3-5-7-14)13-16-9-8-15(22-16)10-11-17(20)18-21/h3-11,21H,2,12-13H2,1H3,(H,18,20)/b11-10+
InChIKeyYSHAULCJPNNZNY-ZHACJKMWSA-N
XLogP2.82
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.82
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)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide (CID 71769925) is (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide is CCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1.
What is the InChIKey of (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
The InChIKey is YSHAULCJPNNZNY-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-19(12-14-6-4-3-5-7-14)13-16-9-8-15(22-16)10-11-17(20)18-21/h3-11,21H,2,12-13H2,1H3,(H,18,20)/b11-10+.
What are the key properties of (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
(E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide has a molecular weight of 300.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[[benzyl(ethyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71769925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).