2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide

C22H32N2O4 — CID 119104055

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCC3CCN(C4CCOC4)CC3)c2O1
InChIInChI=1S/C22H32N2O4/c1-22(2)12-17-4-3-5-19(21(17)28-22)27-15-20(25)23-13-16-6-9-24(10-7-16)18-8-11-26-14-18/h3-5,16,18H,6-15H2,1-2H3,(H,23,25)
InChIKeyAKSNHLHIUZBSFT-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.40
Rot. Bonds6

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 119104055) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
PubChem CID119104055
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCC3CCN(C4CCOC4)CC3)c2O1
InChIInChI=1S/C22H32N2O4/c1-22(2)12-17-4-3-5-19(21(17)28-22)27-15-20(25)23-13-16-6-9-24(10-7-16)18-8-11-26-14-18/h3-5,16,18H,6-15H2,1-2H3,(H,23,25)
InChIKeyAKSNHLHIUZBSFT-UHFFFAOYSA-N
XLogP2.40
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.40
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]-N,N-dimethylpiperidine-1-carboxamide
CID 121020466
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
CID 91814105
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-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619793
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129358023
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8894340
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 121021222
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
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]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90598050

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide (CID 119104055) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCC3CCN(C4CCOC4)CC3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is AKSNHLHIUZBSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-22(2)12-17-4-3-5-19(21(17)28-22)27-15-20(25)23-13-16-6-9-24(10-7-16)18-8-11-26-14-18/h3-5,16,18H,6-15H2,1-2H3,(H,23,25).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 2.40, 6 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-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 119104055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).