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

C21H23NO5 — CID 26686594

IUPACN-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C21H23NO5/c1-4-25-16-7-9-19(26-5-2)18(11-16)22-21(23)10-14-13-27-20-12-15(24-3)6-8-17(14)20/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyPYTBXYDATSQZGI-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.42
Rot. Bonds8

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

N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 26686594) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID26686594
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cc2coc3cc(OC)ccc23)c1
InChIInChI=1S/C21H23NO5/c1-4-25-16-7-9-19(26-5-2)18(11-16)22-21(23)10-14-13-27-20-12-15(24-3)6-8-17(14)20/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyPYTBXYDATSQZGI-UHFFFAOYSA-N
XLogP4.42
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7719010
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17450420
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 43024655
2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide
CID 8750798
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
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
(5-acetyl-2-ethoxyphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 9168101
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 8011717
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 26686594) is N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)Cc2coc3cc(OC)ccc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is PYTBXYDATSQZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-25-16-7-9-19(26-5-2)18(11-16)22-21(23)10-14-13-27-20-12-15(24-3)6-8-17(14)20/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,23).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 26686594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).