3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide

C25H24N2O3 — CID 44523444

IUPAC3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide
SMILESCN(C)CCc1coc2ccc(C(=O)Nc3ccc(-c4ccc(O)cc4)cc3)cc12
InChIInChI=1S/C25H24N2O3/c1-27(2)14-13-20-16-30-24-12-7-19(15-23(20)24)25(29)26-21-8-3-17(4-9-21)18-5-10-22(28)11-6-18/h3-12,15-16,28H,13-14H2,1-2H3,(H,26,29)
InChIKeyJNHMRSNPGITDAO-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.16
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide

3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide (PubChem CID 44523444) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide
PubChem CID44523444
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide
SMILESCN(C)CCc1coc2ccc(C(=O)Nc3ccc(-c4ccc(O)cc4)cc3)cc12
InChIInChI=1S/C25H24N2O3/c1-27(2)14-13-20-16-30-24-12-7-19(15-23(20)24)25(29)26-21-8-3-17(4-9-21)18-5-10-22(28)11-6-18/h3-12,15-16,28H,13-14H2,1-2H3,(H,26,29)
InChIKeyJNHMRSNPGITDAO-UHFFFAOYSA-N
XLogP5.16
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide (CID 44523444) is 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide is CN(C)CCc1coc2ccc(C(=O)Nc3ccc(-c4ccc(O)cc4)cc3)cc12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide?
The InChIKey is JNHMRSNPGITDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-27(2)14-13-20-16-30-24-12-7-19(15-23(20)24)25(29)26-21-8-3-17(4-9-21)18-5-10-22(28)11-6-18/h3-12,15-16,28H,13-14H2,1-2H3,(H,26,29).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide?
3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44523444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).