N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide

C23H25N3O2 — CID 53366825

IUPACN-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-20(24-16-18-10-4-1-5-11-18)17-26-22(28)21(19-12-6-2-7-13-19)25-23(26)14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,27)
InChIKeyBJSOQFPUZADDAA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide

N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (PubChem CID 53366825) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
PubChem CID53366825
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-20(24-16-18-10-4-1-5-11-18)17-26-22(28)21(19-12-6-2-7-13-19)25-23(26)14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,27)
InChIKeyBJSOQFPUZADDAA-UHFFFAOYSA-N
XLogP3.29
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (CID 53366825) is N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The InChIKey is BJSOQFPUZADDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-20(24-16-18-10-4-1-5-11-18)17-26-22(28)21(19-12-6-2-7-13-19)25-23(26)14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,27).
What are the key properties of N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is sourced from PubChem (CID 53366825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).