N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide

C21H23NO4 — CID 24947773

IUPACN,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C21H23NO4/c1-4-22(5-2)21(24)11-14-6-9-18-16(10-14)13-19(26-18)15-7-8-17(23)20(12-15)25-3/h6-10,12-13,23H,4-5,11H2,1-3H3
InChIKeyFWJGSEGLKZVPNF-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.22
Rot. Bonds6

About N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide

N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide (PubChem CID 24947773) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
PubChem CID24947773
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C21H23NO4/c1-4-22(5-2)21(24)11-14-6-9-18-16(10-14)13-19(26-18)15-7-8-17(23)20(12-15)25-3/h6-10,12-13,23H,4-5,11H2,1-3H3
InChIKeyFWJGSEGLKZVPNF-UHFFFAOYSA-N
XLogP4.22
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
CID 24947774
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide
CID 24947775
3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide
CID 68871834
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
CID 68875534
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate
CID 24946848
N-ethyl-N-(2-hydroxyethyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 60701961
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide (CID 24947773) is N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide is CCN(CC)C(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1.
What is the InChIKey of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide?
The InChIKey is FWJGSEGLKZVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-4-22(5-2)21(24)11-14-6-9-18-16(10-14)13-19(26-18)15-7-8-17(23)20(12-15)25-3/h6-10,12-13,23H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide?
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide is sourced from PubChem (CID 24947773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).