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

C19H21NO3 — CID 18074370

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H21NO3/c1-13-7-4-5-9-15(13)20-17(21)12-22-16-10-6-8-14-11-19(2,3)23-18(14)16/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyNSZGJNCSIOFCJG-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.73
Rot. Bonds4

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide (PubChem CID 18074370) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
PubChem CID18074370
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C19H21NO3/c1-13-7-4-5-9-15(13)20-17(21)12-22-16-10-6-8-14-11-19(2,3)23-18(14)16/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyNSZGJNCSIOFCJG-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864015
N-(2,3-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864084
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395132
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855779
[2-(2-fluoroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855788
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-prop-2-enylbenzamide
CID 55413527
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 29349984
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90578518
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8863788
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9439041

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide (CID 18074370) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide?
The InChIKey is NSZGJNCSIOFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-7-4-5-9-15(13)20-17(21)12-22-16-10-6-8-14-11-19(2,3)23-18(14)16/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 18074370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).