2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide

C26H31N3O4 — CID 112761780

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)coc2c1C
InChIInChI=1S/C26H31N3O4/c1-18-3-5-22-20(17-33-26(22)19(18)2)15-25(30)27-23-6-4-21(28-7-11-31-12-8-28)16-24(23)29-9-13-32-14-10-29/h3-6,16-17H,7-15H2,1-2H3,(H,27,30)
InChIKeyZGGAGPNARKSIOP-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.90
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide (PubChem CID 112761780) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
PubChem CID112761780
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)coc2c1C
InChIInChI=1S/C26H31N3O4/c1-18-3-5-22-20(17-33-26(22)19(18)2)15-25(30)27-23-6-4-21(28-7-11-31-12-8-28)16-24(23)29-9-13-32-14-10-29/h3-6,16-17H,7-15H2,1-2H3,(H,27,30)
InChIKeyZGGAGPNARKSIOP-UHFFFAOYSA-N
XLogP3.90
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112771327
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 9481437
N-[2-(2,4-dimorpholin-4-ylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24676971
2-(6-ethyl-1-benzofuran-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 8851829
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
N-(2,3-dichlorophenyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 1243073
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46426387
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 112761443

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide (CID 112761780) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide is Cc1ccc2c(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The InChIKey is ZGGAGPNARKSIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-3-5-22-20(17-33-26(22)19(18)2)15-25(30)27-23-6-4-21(28-7-11-31-12-8-28)16-24(23)29-9-13-32-14-10-29/h3-6,16-17H,7-15H2,1-2H3,(H,27,30).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide has a molecular weight of 449.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 112761780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).