2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide

C17H23NO5 — CID 129358023

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NC[C@]3(O)CCOC3)c2O1
InChIInChI=1S/C17H23NO5/c1-16(2)8-12-4-3-5-13(15(12)23-16)22-9-14(19)18-10-17(20)6-7-21-11-17/h3-5,20H,6-11H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyZPIOJBNZBJOKGR-QGZVFWFLSA-N
MW321.37 g/mol
LogP1.05
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide (PubChem CID 129358023) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
PubChem CID129358023
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NC[C@]3(O)CCOC3)c2O1
InChIInChI=1S/C17H23NO5/c1-16(2)8-12-4-3-5-13(15(12)23-16)22-9-14(19)18-10-17(20)6-7-21-11-17/h3-5,20H,6-11H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyZPIOJBNZBJOKGR-QGZVFWFLSA-N
XLogP1.05
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 30178068
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
2-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethoxy]benzamide
CID 106102823
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90598050
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-phenylpropyl)acetamide
CID 8551560
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 119104055
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
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-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide (CID 129358023) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NC[C@]3(O)CCOC3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
The InChIKey is ZPIOJBNZBJOKGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO5/c1-16(2)8-12-4-3-5-13(15(12)23-16)22-9-14(19)18-10-17(20)6-7-21-11-17/h3-5,20H,6-11H2,1-2H3,(H,18,19)/t17-/m1/s1.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide has a molecular weight of 321.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 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-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 129358023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).