3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide

C22H25NO4 — CID 68871834

IUPAC3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide
SMILESCCC(CC)C(C(N)=O)c1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C22H25NO4/c1-4-13(5-2)21(22(23)25)15-7-9-18-16(10-15)12-19(27-18)14-6-8-17(24)20(11-14)26-3/h6-13,21,24H,4-5H2,1-3H3,(H2,23,25)
InChIKeyHSYQYKDQBDYQRF-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.82
Rot. Bonds7

About 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide

3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide (PubChem CID 68871834) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide.

Molecular Properties

Compound Name3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide
PubChem CID68871834
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide
SMILESCCC(CC)C(C(N)=O)c1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C22H25NO4/c1-4-13(5-2)21(22(23)25)15-7-9-18-16(10-15)12-19(27-18)14-6-8-17(24)20(11-14)26-3/h6-13,21,24H,4-5H2,1-3H3,(H2,23,25)
InChIKeyHSYQYKDQBDYQRF-UHFFFAOYSA-N
XLogP4.82
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide
CID 24947775
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
CID 24947773
2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
CID 24947774
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
CID 68875534
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
CID 118450223
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
2-(butan-2-ylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 54908186
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide?
The IUPAC name of 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide (CID 68871834) is 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide.
What is the SMILES notation for 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide?
The canonical SMILES for 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide is CCC(CC)C(C(N)=O)c1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1.
What is the InChIKey of 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide?
The InChIKey is HSYQYKDQBDYQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-4-13(5-2)21(22(23)25)15-7-9-18-16(10-15)12-19(27-18)14-6-8-17(24)20(11-14)26-3/h6-13,21,24H,4-5H2,1-3H3,(H2,23,25).
What are the key properties of 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide?
3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide has a molecular weight of 367.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide is sourced from PubChem (CID 68871834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).