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

C23H27NO4 — CID 24947774

IUPAC2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C23H27NO4/c1-4-10-24(11-5-2)23(26)13-16-6-9-20-18(12-16)15-21(28-20)17-7-8-19(25)22(14-17)27-3/h6-9,12,14-15,25H,4-5,10-11,13H2,1-3H3
InChIKeyOISZQARWYDSQBI-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.01
Rot. Bonds8

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

2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide (PubChem CID 24947774) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
PubChem CID24947774
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C23H27NO4/c1-4-10-24(11-5-2)23(26)13-16-6-9-20-18(12-16)15-21(28-20)17-7-8-19(25)22(14-17)27-3/h6-9,12,14-15,25H,4-5,10-11,13H2,1-3H3
InChIKeyOISZQARWYDSQBI-UHFFFAOYSA-N
XLogP5.01
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
CID 24947773
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
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
1-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-(2,6-dimethylmorpholin-4-yl)propan-2-one
CID 91093539
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
CID 68875534
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
CID 110767187
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide (CID 24947774) is 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1.
What is the InChIKey of 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide?
The InChIKey is OISZQARWYDSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-4-10-24(11-5-2)23(26)13-16-6-9-20-18(12-16)15-21(28-20)17-7-8-19(25)22(14-17)27-3/h6-9,12,14-15,25H,4-5,10-11,13H2,1-3H3.
What are the key properties of 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide?
2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide has a molecular weight of 381.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 24947774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).