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

C18H22N2O3 — CID 71769926

IUPAC(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
SMILESCCCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C18H22N2O3/c1-2-12-20(13-15-6-4-3-5-7-15)14-17-9-8-16(23-17)10-11-18(21)19-22/h3-11,22H,2,12-14H2,1H3,(H,19,21)/b11-10+
InChIKeyZGVKFIQBGUKMJO-ZHACJKMWSA-N
MW314.39 g/mol
LogP3.21
Rot. Bonds8

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

(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide (PubChem CID 71769926) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
PubChem CID71769926
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
SMILESCCCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1
InChIInChI=1S/C18H22N2O3/c1-2-12-20(13-15-6-4-3-5-7-15)14-17-9-8-16(23-17)10-11-18(21)19-22/h3-11,22H,2,12-14H2,1H3,(H,19,21)/b11-10+
InChIKeyZGVKFIQBGUKMJO-ZHACJKMWSA-N
XLogP3.21
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.21
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(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide (CID 71769926) is (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide is CCCN(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO)o1.
What is the InChIKey of (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
The InChIKey is ZGVKFIQBGUKMJO-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-12-20(13-15-6-4-3-5-7-15)14-17-9-8-16(23-17)10-11-18(21)19-22/h3-11,22H,2,12-14H2,1H3,(H,19,21)/b11-10+.
What are the key properties of (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide?
(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71769926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).