N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide

C27H28N2O6 — CID 11260075

IUPACN-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C(C)=O)oc3ccc(/C(C)=C/C(=O)N4CCOCC4)cc23)cc1
InChIInChI=1S/C27H28N2O6/c1-17(14-25(32)29-10-12-34-13-11-29)20-6-9-23-22(16-20)26(27(35-23)18(2)30)28-24(31)15-19-4-7-21(33-3)8-5-19/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,31)/b17-14+
InChIKeyKZKACOORUVDQFC-SAPNQHFASA-N
MW476.53 g/mol
LogP4.09
Rot. Bonds7

About N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide

N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 11260075) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID11260075
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC NameN-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(C(C)=O)oc3ccc(/C(C)=C/C(=O)N4CCOCC4)cc23)cc1
InChIInChI=1S/C27H28N2O6/c1-17(14-25(32)29-10-12-34-13-11-29)20-6-9-23-22(16-20)26(27(35-23)18(2)30)28-24(31)15-19-4-7-21(33-3)8-5-19/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,31)/b17-14+
InChIKeyKZKACOORUVDQFC-SAPNQHFASA-N
XLogP4.09
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.09
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

(E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide
CID 11305768
(Z)-3-(2-acetyl-3-amino-1-benzofuran-5-yl)-1-morpholin-4-ylbut-2-en-1-one
CID 23111220
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
N-tert-butyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20925833
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535200
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide (CID 11260075) is N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2c(C(C)=O)oc3ccc(/C(C)=C/C(=O)N4CCOCC4)cc23)cc1.
What is the InChIKey of N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KZKACOORUVDQFC-SAPNQHFASA-N. The full InChI is InChI=1S/C27H28N2O6/c1-17(14-25(32)29-10-12-34-13-11-29)20-6-9-23-22(16-20)26(27(35-23)18(2)30)28-24(31)15-19-4-7-21(33-3)8-5-19/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,31)/b17-14+.
What are the key properties of N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 476.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-[(E)-4-morpholin-4-yl-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 11260075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).