2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide

C24H31N3O2 — CID 54584439

IUPAC2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESO=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C24H31N3O2/c28-23(18-25-17-20-7-2-1-3-8-20)26-13-6-14-27-15-11-24(12-16-27)22-10-5-4-9-21(22)19-29-24/h1-5,7-10,25H,6,11-19H2,(H,26,28)
InChIKeyTUTPYKJPJOGRFY-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.80
Rot. Bonds8

About 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide

2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 54584439) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID54584439
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESO=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C24H31N3O2/c28-23(18-25-17-20-7-2-1-3-8-20)26-13-6-14-27-15-11-24(12-16-27)22-10-5-4-9-21(22)19-29-24/h1-5,7-10,25H,6,11-19H2,(H,26,28)
InChIKeyTUTPYKJPJOGRFY-UHFFFAOYSA-N
XLogP2.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The IUPAC name of 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 54584439) is 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The canonical SMILES for 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is TUTPYKJPJOGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-23(18-25-17-20-7-2-1-3-8-20)26-13-6-14-27-15-11-24(12-16-27)22-10-5-4-9-21(22)19-29-24/h1-5,7-10,25H,6,11-19H2,(H,26,28).
What are the key properties of 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide?
2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 54584439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).