2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide

C18H16N2O6 — CID 17450420

IUPAC2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)coc2c1
InChIInChI=1S/C18H16N2O6/c1-24-13-4-5-14-11(10-26-17(14)9-13)7-18(21)19-15-8-12(20(22)23)3-6-16(15)25-2/h3-6,8-10H,7H2,1-2H3,(H,19,21)
InChIKeyTXNMENSFGCFUDG-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.54
Rot. Bonds6

About 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 17450420) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID17450420
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)coc2c1
InChIInChI=1S/C18H16N2O6/c1-24-13-4-5-14-11(10-26-17(14)9-13)7-18(21)19-15-8-12(20(22)23)3-6-16(15)25-2/h3-6,8-10H,7H2,1-2H3,(H,19,21)
InChIKeyTXNMENSFGCFUDG-UHFFFAOYSA-N
XLogP3.54
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860866
N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 26686594
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 26065721
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 51532771
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 18872055
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide (CID 17450420) is 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide is COc1ccc2c(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is TXNMENSFGCFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6/c1-24-13-4-5-14-11(10-26-17(14)9-13)7-18(21)19-15-8-12(20(22)23)3-6-16(15)25-2/h3-6,8-10H,7H2,1-2H3,(H,19,21).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide?
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 356.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 17450420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).