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

C23H26N2O4 — CID 8588775

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3ccc(N4CCCC4=O)cc3)c2O1
InChIInChI=1S/C23H26N2O4/c1-23(2)13-17-5-3-6-19(22(17)29-23)28-15-20(26)24-14-16-8-10-18(11-9-16)25-12-4-7-21(25)27/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,26)
InChIKeyGKAYMAHMIOLZHZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.22
Rot. Bonds6

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (PubChem CID 8588775) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
PubChem CID8588775
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3ccc(N4CCCC4=O)cc3)c2O1
InChIInChI=1S/C23H26N2O4/c1-23(2)13-17-5-3-6-19(22(17)29-23)28-15-20(26)24-14-16-8-10-18(11-9-16)25-12-4-7-21(25)27/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,26)
InChIKeyGKAYMAHMIOLZHZ-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 55638698
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
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-[(4-oxo-3-prop-2-ynylphthalazin-1-yl)methyl]acetamide
CID 121048785
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide
CID 91818515
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126769141
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91817154
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide (CID 8588775) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCc3ccc(N4CCCC4=O)cc3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
The InChIKey is GKAYMAHMIOLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2)13-17-5-3-6-19(22(17)29-23)28-15-20(26)24-14-16-8-10-18(11-9-16)25-12-4-7-21(25)27/h3,5-6,8-11H,4,7,12-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-oxopyrrolidin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 8588775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).