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

C19H20N2O5 — CID 9395132

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)COc2cccc3c2OC(C)(C)C3)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O5/c1-12-14(7-5-8-15(12)21(23)24)20-17(22)11-25-16-9-4-6-13-10-19(2,3)26-18(13)16/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNPLDJTCVQPOHIX-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.63
Rot. Bonds5

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 9395132) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID9395132
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)COc2cccc3c2OC(C)(C)C3)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O5/c1-12-14(7-5-8-15(12)21(23)24)20-17(22)11-25-16-9-4-6-13-10-19(2,3)26-18(13)16/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyNPLDJTCVQPOHIX-UHFFFAOYSA-N
XLogP3.63
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 16958866
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
N-(4-bromo-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864015
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
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
[2-(2-fluoroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855788
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-prop-2-enylbenzamide
CID 55413527

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide (CID 9395132) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)COc2cccc3c2OC(C)(C)C3)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is NPLDJTCVQPOHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-14(7-5-8-15(12)21(23)24)20-17(22)11-25-16-9-4-6-13-10-19(2,3)26-18(13)16/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 3.63, 5 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-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 9395132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).