(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide

C21H17NO5 — CID 44561975

IUPAC(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1
InChIInChI=1S/C21H17NO5/c1-26-19-5-4-14-12-16(3-2-15(14)13-19)20(23)10-8-17-6-7-18(27-17)9-11-21(24)22-25/h2-13,25H,1H3,(H,22,24)/b10-8+,11-9+
InChIKeyWPZRRDIPOGPABO-GFULKKFKSA-N
MW363.37 g/mol
LogP3.86
Rot. Bonds6

About (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide (PubChem CID 44561975) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
PubChem CID44561975
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide
SMILESCOc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1
InChIInChI=1S/C21H17NO5/c1-26-19-5-4-14-12-16(3-2-15(14)13-19)20(23)10-8-17-6-7-18(27-17)9-11-21(24)22-25/h2-13,25H,1H3,(H,22,24)/b10-8+,11-9+
InChIKeyWPZRRDIPOGPABO-GFULKKFKSA-N
XLogP3.86
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide (CID 44561975) is (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-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-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide is COc1ccc2cc(C(=O)/C=C/c3ccc(/C=C/C(=O)NO)o3)ccc2c1.
What is the InChIKey of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
The InChIKey is WPZRRDIPOGPABO-GFULKKFKSA-N. The full InChI is InChI=1S/C21H17NO5/c1-26-19-5-4-14-12-16(3-2-15(14)13-19)20(23)10-8-17-6-7-18(27-17)9-11-21(24)22-25/h2-13,25H,1H3,(H,22,24)/b10-8+,11-9+.
What are the key properties of (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide has a molecular weight of 363.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[5-[(E)-3-(6-methoxynaphthalen-2-yl)-3-oxoprop-1-enyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 44561975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).