N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide

C20H21NO4 — CID 90272705

IUPACN-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide
SMILESCCc1c(-c2ccc(OC)cc2OC)oc2cc(NC(C)=O)ccc12
InChIInChI=1S/C20H21NO4/c1-5-15-16-8-6-13(21-12(2)22)10-19(16)25-20(15)17-9-7-14(23-3)11-18(17)24-4/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyXEZZFHBLLUXPHT-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.64
Rot. Bonds5

About N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide

N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide (PubChem CID 90272705) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide
PubChem CID90272705
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide
SMILESCCc1c(-c2ccc(OC)cc2OC)oc2cc(NC(C)=O)ccc12
InChIInChI=1S/C20H21NO4/c1-5-15-16-8-6-13(21-12(2)22)10-19(16)25-20(15)17-9-7-14(23-3)11-18(17)24-4/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyXEZZFHBLLUXPHT-UHFFFAOYSA-N
XLogP4.64
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
CID 167499224
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 15512805
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
N-(4-acetamidophenyl)-2-(N-acetyl-2,4-dimethoxyanilino)acetamide
CID 113174784
N-[4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041369
N-[4-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-2-oxochromen-7-yl]acetamide
CID 18191566
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide (CID 90272705) is N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide is CCc1c(-c2ccc(OC)cc2OC)oc2cc(NC(C)=O)ccc12.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide?
The InChIKey is XEZZFHBLLUXPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-5-15-16-8-6-13(21-12(2)22)10-19(16)25-20(15)17-9-7-14(23-3)11-18(17)24-4/h6-11H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide?
N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)-3-ethyl-1-benzofuran-6-yl]acetamide is sourced from PubChem (CID 90272705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).