2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide

C26H34N2O4 — CID 55638698

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CN(Cc2ccc(CNC(=O)COc3cccc4c3OC(C)(C)C4)cc2)CC(C)O1
InChIInChI=1S/C26H34N2O4/c1-18-14-28(15-19(2)31-18)16-21-10-8-20(9-11-21)13-27-24(29)17-30-23-7-5-6-22-12-26(3,4)32-25(22)23/h5-11,18-19H,12-17H2,1-4H3,(H,27,29)
InChIKeyNIGADZJIAWCSFW-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.70
Rot. Bonds7

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide (PubChem CID 55638698) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
PubChem CID55638698
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
SMILESCC1CN(Cc2ccc(CNC(=O)COc3cccc4c3OC(C)(C)C4)cc2)CC(C)O1
InChIInChI=1S/C26H34N2O4/c1-18-14-28(15-19(2)31-18)16-21-10-8-20(9-11-21)13-27-24(29)17-30-23-7-5-6-22-12-26(3,4)32-25(22)23/h5-11,18-19H,12-17H2,1-4H3,(H,27,29)
InChIKeyNIGADZJIAWCSFW-UHFFFAOYSA-N
XLogP3.70
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8551244
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8588775
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 30822680
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide
CID 33093596
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5217542
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 90567386
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 56765570
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide (CID 55638698) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide is CC1CN(Cc2ccc(CNC(=O)COc3cccc4c3OC(C)(C)C4)cc2)CC(C)O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is NIGADZJIAWCSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18-14-28(15-19(2)31-18)16-21-10-8-20(9-11-21)13-27-24(29)17-30-23-7-5-6-22-12-26(3,4)32-25(22)23/h5-11,18-19H,12-17H2,1-4H3,(H,27,29).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 55638698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).