N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide

C24H29NO2 — CID 10384120

IUPACN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
InChIInChI=1S/C24H29NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H,25,26)
InChIKeyXBAISQCEJLBPDM-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.46
Rot. Bonds10

About N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide

N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide (PubChem CID 10384120) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide
PubChem CID10384120
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
InChIInChI=1S/C24H29NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H,25,26)
InChIKeyXBAISQCEJLBPDM-UHFFFAOYSA-N
XLogP5.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]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-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide?
The IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide (CID 10384120) is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide?
The canonical SMILES for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide is CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12.
What is the InChIKey of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide?
The InChIKey is XBAISQCEJLBPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-2-24(26)25-17-9-14-20-13-8-16-23-22(20)18-21(27-23)15-7-6-12-19-10-4-3-5-11-19/h3-5,8,10-11,13,16,18H,2,6-7,9,12,14-15,17H2,1H3,(H,25,26).
What are the key properties of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide?
N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide has a molecular weight of 363.50 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]propanamide is sourced from PubChem (CID 10384120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).