N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide

C26H23NO4 — CID 4095793

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1
InChIInChI=1S/C26H23NO4/c1-16-13-17(2)15-20(14-16)30-18(3)26(29)27-23-21-11-7-8-12-22(21)31-25(23)24(28)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,27,29)
InChIKeyYSXURSFPNZXRDS-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.69
Rot. Bonds6

About N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide

N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 4095793) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID4095793
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1
InChIInChI=1S/C26H23NO4/c1-16-13-17(2)15-20(14-16)30-18(3)26(29)27-23-21-11-7-8-12-22(21)31-25(23)24(28)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,27,29)
InChIKeyYSXURSFPNZXRDS-UHFFFAOYSA-N
XLogP5.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide 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 N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide (CID 4095793) is N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is YSXURSFPNZXRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-13-17(2)15-20(14-16)30-18(3)26(29)27-23-21-11-7-8-12-22(21)31-25(23)24(28)19-9-5-4-6-10-19/h4-15,18H,1-3H3,(H,27,29).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide?
N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 413.47 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 4095793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).