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

C23H27NO2 — CID 18522208

IUPACN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
InChIInChI=1S/C23H27NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25)
InChIKeyILDDNXWFXWQXIU-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.07
Rot. Bonds9

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

N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide (PubChem CID 18522208) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide
PubChem CID18522208
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
InChIInChI=1S/C23H27NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25)
InChIKeyILDDNXWFXWQXIU-UHFFFAOYSA-N
XLogP5.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide?
The IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide (CID 18522208) is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide?
The canonical SMILES for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide is CC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12.
What is the InChIKey of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide?
The InChIKey is ILDDNXWFXWQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18(25)24-16-8-13-20-12-7-15-23-22(20)17-21(26-23)14-6-5-11-19-9-3-2-4-10-19/h2-4,7,9-10,12,15,17H,5-6,8,11,13-14,16H2,1H3,(H,24,25).
What are the key properties of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide?
N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]acetamide has a molecular weight of 349.47 g/mol, XLogP of 5.07, 9 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]acetamide is sourced from PubChem (CID 18522208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).