3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide

C23H27NO4 — CID 68875534

IUPAC3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
SMILESCCC(CC)(CC(N)=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C23H27NO4/c1-5-23(6-2,14-22(24)25)17-8-10-18-16(11-17)13-20(28-18)15-7-9-19(26-3)21(12-15)27-4/h7-13H,5-6,14H2,1-4H3,(H2,24,25)
InChIKeyPUWSMBVKXAJLIJ-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.05
Rot. Bonds8

About 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide

3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide (PubChem CID 68875534) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
PubChem CID68875534
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
SMILESCCC(CC)(CC(N)=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C23H27NO4/c1-5-23(6-2,14-22(24)25)17-8-10-18-16(11-17)13-20(28-18)15-7-9-19(26-3)21(12-15)27-4/h7-13H,5-6,14H2,1-4H3,(H2,24,25)
InChIKeyPUWSMBVKXAJLIJ-UHFFFAOYSA-N
XLogP5.05
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide (CID 68875534) is 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide is CCC(CC)(CC(N)=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)cc2c1.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide?
The InChIKey is PUWSMBVKXAJLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-5-23(6-2,14-22(24)25)17-8-10-18-16(11-17)13-20(28-18)15-7-9-19(26-3)21(12-15)27-4/h7-13H,5-6,14H2,1-4H3,(H2,24,25).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide?
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide has a molecular weight of 381.47 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide is sourced from PubChem (CID 68875534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).