(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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Related Compounds

(5E)-4-hydroxy-3-(4-methoxyphenyl)-5-(1-morpholin-4-yl-1-oxopropan-2-ylidene)furan-2-one
CID 54737469
(2E)-N-butyl-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]propanamide
CID 54737468
methyl (2E)-2-(4-acetylphenyl)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]acetate
CID 54732404
(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 54722214
methyl 2-[3-methoxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate
CID 632599
methyl (2Z)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetate
CID 54675944
3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
CID 583985
2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 139590812
methyl 2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate
CID 54676219
2-(4-methoxyphenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488949
methyl 2-(3,4-dihydroxyphenyl)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]acetate
CID 162933141
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008

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).