N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide

C22H25NO3 — CID 11810280

IUPACN-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C22H25NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24)
InChIKeyDGSMNZYHMRLASI-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.49
Rot. Bonds8

About N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide

N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide (PubChem CID 11810280) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide
PubChem CID11810280
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide
SMILESCCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C22H25NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24)
InChIKeyDGSMNZYHMRLASI-UHFFFAOYSA-N
XLogP4.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide 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-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide?
The IUPAC name of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide (CID 11810280) is N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide is CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide?
The InChIKey is DGSMNZYHMRLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide?
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]butanamide is sourced from PubChem (CID 11810280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).