(2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide

C22H20N2O6 — CID 90644850

IUPAC(2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(OCC(=O)N3CCOCC3)cc1)C2=O
InChIInChI=1S/C22H20N2O6/c23-22(27)17-3-1-2-16-20(26)18(30-21(16)17)12-14-4-6-15(7-5-14)29-13-19(25)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,23,27)/b18-12-
InChIKeyLRJJUUGPQSYULJ-PDGQHHTCSA-N
MW408.41 g/mol
LogP1.64
Rot. Bonds5

About (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide

(2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide (PubChem CID 90644850) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
PubChem CID90644850
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name(2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccc(OCC(=O)N3CCOCC3)cc1)C2=O
InChIInChI=1S/C22H20N2O6/c23-22(27)17-3-1-2-16-20(26)18(30-21(16)17)12-14-4-6-15(7-5-14)29-13-19(25)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,23,27)/b18-12-
InChIKeyLRJJUUGPQSYULJ-PDGQHHTCSA-N
XLogP1.64
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethoxy]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 90644853
(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-carboxamide
CID 155523486
2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-benzothiophen-3-one
CID 1103813
(2Z)-2-[[4-[3-(hydroxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155534031
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106955473

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide (CID 90644850) is (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c1O/C(=C\c1ccc(OCC(=O)N3CCOCC3)cc1)C2=O.
What is the InChIKey of (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The InChIKey is LRJJUUGPQSYULJ-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H20N2O6/c23-22(27)17-3-1-2-16-20(26)18(30-21(16)17)12-14-4-6-15(7-5-14)29-13-19(25)24-8-10-28-11-9-24/h1-7,12H,8-11,13H2,(H2,23,27)/b18-12-.
What are the key properties of (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
(2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide is sourced from PubChem (CID 90644850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).