3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide

C20H22N2O4 — CID 33093596

IUPAC3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3cccc(C(N)=O)c3)c2O1
InChIInChI=1S/C20H22N2O4/c1-20(2)10-15-7-4-8-16(18(15)26-20)25-12-17(23)22-11-13-5-3-6-14(9-13)19(21)24/h3-9H,10-12H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyKSSVOWUREZKLJC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.19
Rot. Bonds6

About 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide

3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide (PubChem CID 33093596) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide
PubChem CID33093596
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3cccc(C(N)=O)c3)c2O1
InChIInChI=1S/C20H22N2O4/c1-20(2)10-15-7-4-8-16(18(15)26-20)25-12-17(23)22-11-13-5-3-6-14(9-13)19(21)24/h3-9H,10-12H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyKSSVOWUREZKLJC-UHFFFAOYSA-N
XLogP2.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5217542
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 30822680
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
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-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 56765570
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129358023
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 55638698
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 30178068
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8588775
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 90523049

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide (CID 33093596) is 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide is CC1(C)Cc2cccc(OCC(=O)NCc3cccc(C(N)=O)c3)c2O1.
What is the InChIKey of 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide?
The InChIKey is KSSVOWUREZKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-20(2)10-15-7-4-8-16(18(15)26-20)25-12-17(23)22-11-13-5-3-6-14(9-13)19(21)24/h3-9H,10-12H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide?
3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 33093596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).