N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C21H23NO5 — CID 8909222

IUPACN-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1
InChIInChI=1S/C21H23NO5/c1-5-25-15-8-10-19(26-6-2)17(12-15)22-21(23)20-13(3)16-11-14(24-4)7-9-18(16)27-20/h7-12H,5-6H2,1-4H3,(H,22,23)
InChIKeyACCFBWVLCUOGKN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8909222) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8909222
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1
InChIInChI=1S/C21H23NO5/c1-5-25-15-8-10-19(26-6-2)17(12-15)22-21(23)20-13(3)16-11-14(24-4)7-9-18(16)27-20/h7-12H,5-6H2,1-4H3,(H,22,23)
InChIKeyACCFBWVLCUOGKN-UHFFFAOYSA-N
XLogP4.80
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7750652
5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55711749
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8909222) is N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ACCFBWVLCUOGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-5-25-15-8-10-19(26-6-2)17(12-15)22-21(23)20-13(3)16-11-14(24-4)7-9-18(16)27-20/h7-12H,5-6H2,1-4H3,(H,22,23).
What are the key properties of N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8909222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).