(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide

C16H17NO6 — CID 54737471

IUPAC(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
SMILESCOc1ccc(C2=C(O)/C(=C(/C)C(=O)N(C)OC)OC2=O)cc1
InChIInChI=1S/C16H17NO6/c1-9(15(19)17(2)22-4)14-13(18)12(16(20)23-14)10-5-7-11(21-3)8-6-10/h5-8,18H,1-4H3/b14-9+
InChIKeyUFICSZMOJPBZTH-NTEUORMPSA-N
MW319.31 g/mol
LogP1.81
Rot. Bonds4

About (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide

(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide (PubChem CID 54737471) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
PubChem CID54737471
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
SMILESCOc1ccc(C2=C(O)/C(=C(/C)C(=O)N(C)OC)OC2=O)cc1
InChIInChI=1S/C16H17NO6/c1-9(15(19)17(2)22-4)14-13(18)12(16(20)23-14)10-5-7-11(21-3)8-6-10/h5-8,18H,1-4H3/b14-9+
InChIKeyUFICSZMOJPBZTH-NTEUORMPSA-N
XLogP1.81
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide?
The IUPAC name of (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide (CID 54737471) is (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide is COc1ccc(C2=C(O)/C(=C(/C)C(=O)N(C)OC)OC2=O)cc1.
What is the InChIKey of (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide?
The InChIKey is UFICSZMOJPBZTH-NTEUORMPSA-N. The full InChI is InChI=1S/C16H17NO6/c1-9(15(19)17(2)22-4)14-13(18)12(16(20)23-14)10-5-7-11(21-3)8-6-10/h5-8,18H,1-4H3/b14-9+.
What are the key properties of (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide?
(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide has a molecular weight of 319.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 54737471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).