N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide

C21H23NO4 — CID 58047353

IUPACN-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCCOc1ccc(COc2ccc3cc(C(C)NC(C)=O)oc3c2)cc1
InChIInChI=1S/C21H23NO4/c1-4-24-18-8-5-16(6-9-18)13-25-19-10-7-17-11-20(26-21(17)12-19)14(2)22-15(3)23/h5-12,14H,4,13H2,1-3H3,(H,22,23)
InChIKeyLCCQJWORZUASOF-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.61
Rot. Bonds7

About N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide

N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide (PubChem CID 58047353) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
PubChem CID58047353
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCCOc1ccc(COc2ccc3cc(C(C)NC(C)=O)oc3c2)cc1
InChIInChI=1S/C21H23NO4/c1-4-24-18-8-5-16(6-9-18)13-25-19-10-7-17-11-20(26-21(17)12-19)14(2)22-15(3)23/h5-12,14H,4,13H2,1-3H3,(H,22,23)
InChIKeyLCCQJWORZUASOF-UHFFFAOYSA-N
XLogP4.61
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047216
N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047453
N-[1-[6-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047041
1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine
CID 143982625
N-[1-[6-[(4-ethylsulfanylphenyl)methoxy]-1-benzofuran-3-yl]ethyl]acetamide
CID 58047674
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
tert-butyl-[1-[6-[(4-ethoxyphenoxy)methyl]-1-benzofuran-2-yl]ethyl]carbamic acid
CID 67015833
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
ethyl 3-oxo-3-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethylamino]propanoate
CID 58047317
2-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-3-yl]propanoic acid
CID 58047621
N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047066
4-[[3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl]oxymethyl]benzoic acid
CID 20984251

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide (CID 58047353) is N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide is CCOc1ccc(COc2ccc3cc(C(C)NC(C)=O)oc3c2)cc1.
What is the InChIKey of N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
The InChIKey is LCCQJWORZUASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-24-18-8-5-16(6-9-18)13-25-19-10-7-17-11-20(26-21(17)12-19)14(2)22-15(3)23/h5-12,14H,4,13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide is sourced from PubChem (CID 58047353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).